CS-0618271
2,2′-[[6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydrodithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene-2,8-diyl]bis[methylidyne(6-oxo-4H-cyclopenta[c]thiophene-5,4(6H)-diylidene)]]bis[propanedinitrile]
Manufacturer: ChemScene
CAS Number: 2099010-84-9
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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
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
Related Products
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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀₀H₁₂₂F₄N₈O₂S₅
Molecular Weight: 1704.41
Synonyms: None
SMILES: N#C/C(C#N)=C1\C(C(C2=CC(F)=C(C=C21)F)=O)=C\C3=C(CC(CCCCCCCCCC)CCCCCCCC)C(SC4=C5N(CC(CCCC)CC)C6=C4C7=NSN=C7C8=C6N(CC(CCCC)CC)C9=C8SC%10=C9SC(/C=C%11C(C%12=CC(F)=C(C=C%12C\%11=C(C#N)\C#N)F)=O)=C%10CC(CCCCCCCCCC)CCCCCCCC)=C5S3
Tpsa: 164.94
Logp: 32.4902
H Acceptors: 15
H Donors: 0
Rotatable Bonds: 50
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀₀H₁₂₂F₄N₈O₂S₅
Molecular Weight:
1704.41
Synonyms:
None
SMILES:
N#C/C(C#N)=C1\C(C(C2=CC(F)=C(C=C21)F)=O)=C\C3=C(CC(CCCCCCCCCC)CCCCCCCC)C(SC4=C5N(CC(CCCC)CC)C6=C4C7=NSN=C7C8=C6N(CC(CCCC)CC)C9=C8SC%10=C9SC(/C=C%11C(C%12=CC(F)=C(C=C%12C\%11=C(C#N)\C#N)F)=O)=C%10CC(CCCCCCCCCC)CCCCCCCC)=C5S3
Tpsa:
164.94
Logp:
32.4902
H Acceptors:
15
H Donors:
0
Rotatable Bonds:
50
Purity: 97%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄O₃
Molecular Weight: 194.23
Synonyms: None
SMILES: O=C(CC(C1=C(C)C=CC=C1)O)OC
Tpsa: 46.53
Logp: 1.59152
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₄O₃
Molecular Weight:
194.23
Synonyms:
None
SMILES:
O=C(CC(C1=C(C)C=CC=C1)O)OC
Tpsa:
46.53
Logp:
1.59152
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉O₄P
Molecular Weight: 270.26
Synonyms: None
SMILES: C[C@H](C1=CC=CC(C)=C1)C(CP(OC)(OC)=O)=O
Tpsa: 52.6
Logp: 3.15352
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉O₄P
Molecular Weight:
270.26
Synonyms:
None
SMILES:
C[C@H](C1=CC=CC(C)=C1)C(CP(OC)(OC)=O)=O
Tpsa:
52.6
Logp:
3.15352
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
6