CS-0618267
(4,8-Bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane) compound with 4,7-bis(5-bromothiophen-2-yl)-5,6-difluoro-2-(2-hexyldecyl)-2H-benzo[d][1,2,3]triazole 1:1
Manufacturer: ChemScene
CAS Number: 2236055-55-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇₀H₉₃Br₂F₄N₃S₆Sn₂
Molecular Weight
1642.12
Synonyms
None
SMILES
FC1=C(CC(CCCC)CC)SC(C2=C3SC([Sn](C)(C)C)=CC3=C(C4=C2C=C([Sn](C)(C)C)S4)C5=CC(F)=C(CC(CCCC)CC)S5)=C1.FC6=C(C7=CC=C(Br)S7)C8=NN(CC(CCCCCCCC)CCCCCC)N=C8C(C9=CC=C(Br)S9)=C6F
Tpsa
30.71
Logp
26.4881
H Acceptors
9
H Donors
0
Rotatable Bonds
32
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₀H₉₃Br₂F₄N₃S₆Sn₂
Molecular Weight: 1642.12
Synonyms: None
SMILES: FC1=C(CC(CCCC)CC)SC(C2=C3SC([Sn](C)(C)C)=CC3=C(C4=C2C=C([Sn](C)(C)C)S4)C5=CC(F)=C(CC(CCCC)CC)S5)=C1.FC6=C(C7=CC=C(Br)S7)C8=NN(CC(CCCCCCCC)CCCCCC)N=C8C(C9=CC=C(Br)S9)=C6F
Tpsa: 30.71
Logp: 26.4881
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 32
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₀H₉₃Br₂F₄N₃S₆Sn₂
Molecular Weight:
1642.12
Synonyms:
None
SMILES:
FC1=C(CC(CCCC)CC)SC(C2=C3SC([Sn](C)(C)C)=CC3=C(C4=C2C=C([Sn](C)(C)C)S4)C5=CC(F)=C(CC(CCCC)CC)S5)=C1.FC6=C(C7=CC=C(Br)S7)C8=NN(CC(CCCCCCCC)CCCCCC)N=C8C(C9=CC=C(Br)S9)=C6F
Tpsa:
30.71
Logp:
26.4881
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
32
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈₂H₁₁₀Br₂Cl₂N₂S₉Sn₂
Molecular Weight: 1880.48
Synonyms: None
SMILES: ClC1=C(CC(CCCC)CC)SC(C2=C3SC([Sn](C)(C)C)=CC3=C(C4=C2C=C([Sn](C)(C)C)S4)C5=CC(Cl)=C(CC(CCCC)CC)S5)=C1.BrC6=C(CC(CCCCCC)CCCC)C=C(C7=CC8=C(C9=C(C%10=NSN=C%108)C=C(C%11=CC(CC(CCCCCC)CCCC)=C(Br)S%11)S9)S7)S6
Tpsa: 25.78
Logp: 33.2293
H Acceptors: 11
H Donors: 0
Rotatable Bonds: 38
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈₂H₁₁₀Br₂Cl₂N₂S₉Sn₂
Molecular Weight:
1880.48
Synonyms:
None
SMILES:
ClC1=C(CC(CCCC)CC)SC(C2=C3SC([Sn](C)(C)C)=CC3=C(C4=C2C=C([Sn](C)(C)C)S4)C5=CC(Cl)=C(CC(CCCC)CC)S5)=C1.BrC6=C(CC(CCCCCC)CCCC)C=C(C7=CC8=C(C9=C(C%10=NSN=C%108)C=C(C%11=CC(CC(CCCCCC)CCCC)=C(Br)S%11)S9)S7)S6
Tpsa:
25.78
Logp:
33.2293
H Acceptors:
11
H Donors:
0
Rotatable Bonds:
38
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₂H₈₈N₆O₂S₈
Molecular Weight: 1326.03
Synonyms: None
SMILES: O=C1/C(SC(N1CC)=S)=C/C2=CC=C(C3=CC4=C(C5=C(C4(CCCCCCCC)CCCCCCCC)C=C(C6=C(C7(CCCCCCCC)CCCCCCCC)C=C(C8=CC=C(C9=NSN=C98)/C=C%10SC(N(CC)C\%10=O)=S)S6)C7=C5)S3)C%11=NSN=C%112
Tpsa: 92.18
Logp: 23.1306
H Acceptors: 14
H Donors: 0
Rotatable Bonds: 34
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₂H₈₈N₆O₂S₈
Molecular Weight:
1326.03
Synonyms:
None
SMILES:
O=C1/C(SC(N1CC)=S)=C/C2=CC=C(C3=CC4=C(C5=C(C4(CCCCCCCC)CCCCCCCC)C=C(C6=C(C7(CCCCCCCC)CCCCCCCC)C=C(C8=CC=C(C9=NSN=C98)/C=C%10SC(N(CC)C\%10=O)=S)S6)C7=C5)S3)C%11=NSN=C%112
Tpsa:
92.18
Logp:
23.1306
H Acceptors:
14
H Donors:
0
Rotatable Bonds:
34
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉₀H₇₈N₄O₂S₆
Molecular Weight: 1440.00
Synonyms: None
SMILES: N#C/C(C#N)=C1C2=CSC=C2C(C\1=C/C3=CC(SC4=C5C(C6=CC=C(CCCCCC)C=C6)(C7=CC=C(CCCCCC)C=C7)C8=C4C=C9C(C%10=C(C9(C%11=CC=C(CCCCCC)C=C%11)C%12=CC=C(CCCCCC)C=C%12)C%13=C(C=C(/C=C%14C(C%15=CSC=C%15C\%14=C(C#N)/C#N)=O)S%13)S%10)=C8)=C5S3)=O
Tpsa: 129.3
Logp: 25.7407
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 26
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉₀H₇₈N₄O₂S₆
Molecular Weight:
1440.00
Synonyms:
None
SMILES:
N#C/C(C#N)=C1C2=CSC=C2C(C\1=C/C3=CC(SC4=C5C(C6=CC=C(CCCCCC)C=C6)(C7=CC=C(CCCCCC)C=C7)C8=C4C=C9C(C%10=C(C9(C%11=CC=C(CCCCCC)C=C%11)C%12=CC=C(CCCCCC)C=C%12)C%13=C(C=C(/C=C%14C(C%15=CSC=C%15C\%14=C(C#N)/C#N)=O)S%13)S%10)=C8)=C5S3)=O
Tpsa:
129.3
Logp:
25.7407
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
26