CS-0618428
IT-2Br
Manufacturer: ChemScene
CAS Number: 2408481-68-3
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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
C₉₄H₈₀Br₂N₄O₂S₄
Molecular Weight
1585.73
Synonyms
None
SMILES
N#C/C(C#N)=C1C2=CC=C(C=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=CC(Br)=CC=C%15C\%14=C(C#N)/C#N)=O)S%13)S%10)=C8)=C5S3)=O)Br
Tpsa
129.3
Logp
27.1427
H Acceptors
10
H Donors
0
Rotatable Bonds
26
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: C₉₄H₈₀Br₂N₄O₂S₄
Molecular Weight: 1585.73
Synonyms: None
SMILES: N#C/C(C#N)=C1C2=CC=C(C=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=CC(Br)=CC=C%15C\%14=C(C#N)/C#N)=O)S%13)S%10)=C8)=C5S3)=O)Br
Tpsa: 129.3
Logp: 27.1427
H Acceptors: 10
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:
C₉₄H₈₀Br₂N₄O₂S₄
Molecular Weight:
1585.73
Synonyms:
None
SMILES:
N#C/C(C#N)=C1C2=CC=C(C=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=CC(Br)=CC=C%15C\%14=C(C#N)/C#N)=O)S%13)S%10)=C8)=C5S3)=O)Br
Tpsa:
129.3
Logp:
27.1427
H Acceptors:
10
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: C₂₉H₄₆O₂S₂Sn
Molecular Weight: 609.51
Synonyms: None
SMILES: CCCCCCCCOC1=C2SC([Sn](C)(C)C)=CC2=C(C3=C1C=CS3)OCCCCCCCC
Tpsa: 18.46
Logp: 10.1398
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₄₆O₂S₂Sn
Molecular Weight:
609.51
Synonyms:
None
SMILES:
CCCCCCCCOC1=C2SC([Sn](C)(C)C)=CC2=C(C3=C1C=CS3)OCCCCCCCC
Tpsa:
18.46
Logp:
10.1398
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₄₀F₂S₄
Molecular Weight: 614.94
Synonyms: None
SMILES: FC1=C(CC(CCCC)CC)SC(C2=C3SC=CC3=C(C4=C2C=CS4)C5=CC(F)=C(CC(CCCC)CC)S5)=C1
Tpsa: 0
Logp: 13.369
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₄₀F₂S₄
Molecular Weight:
614.94
Synonyms:
None
SMILES:
FC1=C(CC(CCCC)CC)SC(C2=C3SC=CC3=C(C4=C2C=CS4)C5=CC(F)=C(CC(CCCC)CC)S5)=C1
Tpsa:
0
Logp:
13.369
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₈H₇₂Cl₂S₄Sn₂
Molecular Weight: 1085.67
Synonyms: None
SMILES: ClC1=C(CC(CCCCCC)CCCC)SC(C2=C3SC([Sn](C)(C)C)=CC3=C(C4=C2C=C([Sn](C)(C)C)S4)C5=CC(Cl)=C(CC(CCCCCC)CCCC)S5)=C1
Tpsa: 0
Logp: 18.6088
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 24
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₇₂Cl₂S₄Sn₂
Molecular Weight:
1085.67
Synonyms:
None
SMILES:
ClC1=C(CC(CCCCCC)CCCC)SC(C2=C3SC([Sn](C)(C)C)=CC3=C(C4=C2C=C([Sn](C)(C)C)S4)C5=CC(Cl)=C(CC(CCCCCC)CCCC)S5)=C1
Tpsa:
0
Logp:
18.6088
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
24