CS-0618375
3,6-Bis(5-bromothieno[3,2-b]thiophen-2-yl)-2,5-bis(2-decyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
Manufacturer: ChemScene
CAS Number: 1246679-13-9
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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
C₆₆H₁₀₂Br₂N₂O₂S₄
Molecular Weight
1243.60
Synonyms
None
SMILES
O=C1C(C2=C(N1CC(CCCCCCCCCCCC)CCCCCCCCCC)C3=CC4=C(C=C(S4)Br)S3)=C(C5=CC6=C(C=C(S6)Br)S5)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C2=O
Tpsa
40.62
Logp
24.4868
H Acceptors
6
H Donors
0
Rotatable Bonds
46
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: C₆₆H₁₀₂Br₂N₂O₂S₄
Molecular Weight: 1243.60
Synonyms: None
SMILES: O=C1C(C2=C(N1CC(CCCCCCCCCCCC)CCCCCCCCCC)C3=CC4=C(C=C(S4)Br)S3)=C(C5=CC6=C(C=C(S6)Br)S5)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C2=O
Tpsa: 40.62
Logp: 24.4868
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 46
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₆H₁₀₂Br₂N₂O₂S₄
Molecular Weight:
1243.60
Synonyms:
None
SMILES:
O=C1C(C2=C(N1CC(CCCCCCCCCCCC)CCCCCCCCCC)C3=CC4=C(C=C(S4)Br)S3)=C(C5=CC6=C(C=C(S6)Br)S5)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C2=O
Tpsa:
40.62
Logp:
24.4868
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
46
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₂H₆₀Br₂N₂O₄
Molecular Weight: 816.74
Synonyms: None
SMILES: O=C1C2=CC(Br)=C3C(N(CC(CCCCCCCCCC)CCCCCCCC)C(C4=CC(Br)=C(C2=C43)C(N1CC(CCCC)CC)=O)=O)=O
Tpsa: 74.76
Logp: 12.6708
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:
C₄₂H₆₀Br₂N₂O₄
Molecular Weight:
816.74
Synonyms:
None
SMILES:
O=C1C2=CC(Br)=C3C(N(CC(CCCCCCCCCC)CCCCCCCC)C(C4=CC(Br)=C(C2=C43)C(N1CC(CCCC)CC)=O)=O)=O
Tpsa:
74.76
Logp:
12.6708
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: C₃₈H₂₂N₂O₂
Molecular Weight: 538.59
Synonyms: None
SMILES: O=C1C2=C(C=C(N3C4=C(C5=C3C=CC=C5)C=CC=C4)C=C2)C(C6=CC=C(N7C8=C(C9=C7C=CC=C9)C=CC=C8)C=C16)=O
Tpsa: 44
Logp: 8.6562
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₂₂N₂O₂
Molecular Weight:
538.59
Synonyms:
None
SMILES:
O=C1C2=C(C=C(N3C4=C(C5=C3C=CC=C5)C=CC=C4)C=C2)C(C6=CC=C(N7C8=C(C9=C7C=CC=C9)C=CC=C8)C=C16)=O
Tpsa:
44
Logp:
8.6562
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₂H₂₈N₂
Molecular Weight: 560.69
Synonyms: None
SMILES: C1(C2=CC=C(N3C4=C(C5=CC=C6C7=C(N(C6=C53)C8=CC=C(C9=CC=CC=C9)C=C8)C=CC=C7)C=CC=C4)C=C2)=CC=CC=C1
Tpsa: 9.86
Logp: 11.2148
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₂₈N₂
Molecular Weight:
560.69
Synonyms:
None
SMILES:
C1(C2=CC=C(N3C4=C(C5=CC=C6C7=C(N(C6=C53)C8=CC=C(C9=CC=CC=C9)C=C8)C=CC=C7)C=CC=C4)C=C2)=CC=CC=C1
Tpsa:
9.86
Logp:
11.2148
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4