CS-0618730
3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-octyldodecanoyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
Manufacturer: ChemScene
CAS Number: 1397261-39-0
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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
C₅₄H₈₂Br₂N₂O₄S₂
Molecular Weight
1047.18
Synonyms
None
SMILES
O=C1C(C2=C(N1C(C(CCCCCCCCCC)CCCCCCCC)=O)C3=CC=C(Br)S3)=C(C4=CC=C(Br)S4)N(C(C(CCCCCCCCCC)CCCCCCCC)=O)C2=O
Tpsa
74.76
Logp
17.9898
H Acceptors
6
H Donors
0
Rotatable Bonds
36
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: C₅₄H₈₂Br₂N₂O₄S₂
Molecular Weight: 1047.18
Synonyms: None
SMILES: O=C1C(C2=C(N1C(C(CCCCCCCCCC)CCCCCCCC)=O)C3=CC=C(Br)S3)=C(C4=CC=C(Br)S4)N(C(C(CCCCCCCCCC)CCCCCCCC)=O)C2=O
Tpsa: 74.76
Logp: 17.9898
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 36
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₈₂Br₂N₂O₄S₂
Molecular Weight:
1047.18
Synonyms:
None
SMILES:
O=C1C(C2=C(N1C(C(CCCCCCCCCC)CCCCCCCC)=O)C3=CC=C(Br)S3)=C(C4=CC=C(Br)S4)N(C(C(CCCCCCCCCC)CCCCCCCC)=O)C2=O
Tpsa:
74.76
Logp:
17.9898
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
36
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇NS₂
Molecular Weight: 263.42
Synonyms: None
SMILES: CCCCCCN1C2=C(SC=C2)C3=C1C=CS3
Tpsa: 4.93
Logp: 5.4978
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇NS₂
Molecular Weight:
263.42
Synonyms:
None
SMILES:
CCCCCCN1C2=C(SC=C2)C3=C1C=CS3
Tpsa:
4.93
Logp:
5.4978
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₃₉B₂NO₄S₂
Molecular Weight: 515.34
Synonyms: None
SMILES: CC1(C)OB(C2=CC3=C(C4=C(N3CCCCCC)C=C(B5OC(C)(C(C)(C)O5)C)S4)S2)OC1(C)C
Tpsa: 41.85
Logp: 6.0962
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₉B₂NO₄S₂
Molecular Weight:
515.34
Synonyms:
None
SMILES:
CC1(C)OB(C2=CC3=C(C4=C(N3CCCCCC)C=C(B5OC(C)(C(C)(C)O5)C)S4)S2)OC1(C)C
Tpsa:
41.85
Logp:
6.0962
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₈Br₂N₄O₂
Molecular Weight: 448.07
Synonyms: None
SMILES: O=C1NC(C2=NC=C(Br)C=C2)=C3C1=C(C4=NC=C(Br)C=C4)NC3=O
Tpsa: 83.98
Logp: 2.3836
H Acceptors: 4
H Donors: 2
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:
C₁₆H₈Br₂N₄O₂
Molecular Weight:
448.07
Synonyms:
None
SMILES:
O=C1NC(C2=NC=C(Br)C=C2)=C3C1=C(C4=NC=C(Br)C=C4)NC3=O
Tpsa:
83.98
Logp:
2.3836
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2