CS-1005816
5-(2,5-Bis(2-ethylhexyl)-3,6-dioxo-4-(thiophen-2-yl)-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrol-1-yl)thiophene-2-carbaldehyde
Manufacturer: ChemScene
CAS Number: 1858204-06-4
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₁H₄₀N₂O₃S₂
Molecular Weight
552.79
Synonyms
None
SMILES
O=CC=1SC(=CC1)C2=C3C(=O)N(C(C=4SC=CC4)=C3C(=O)N2CC(CC)CCCC)CC(CC)CCCC
Tpsa
57.69
Logp
7.8617
H Acceptors
5
H Donors
0
Rotatable Bonds
15
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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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₄₀N₂O₃S₂
Molecular Weight: 552.79
Synonyms: None
SMILES: O=CC=1SC(=CC1)C2=C3C(=O)N(C(C=4SC=CC4)=C3C(=O)N2CC(CC)CCCC)CC(CC)CCCC
Tpsa: 57.69
Logp: 7.8617
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 15
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₀N₂O₃S₂
Molecular Weight:
552.79
Synonyms:
None
SMILES:
O=CC=1SC(=CC1)C2=C3C(=O)N(C(C=4SC=CC4)=C3C(=O)N2CC(CC)CCCC)CC(CC)CCCC
Tpsa:
57.69
Logp:
7.8617
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₂Br₂N₂S₂
Molecular Weight: 326.03
Synonyms: None
SMILES: BrC=1SC(=NC1)C2=NC=C(Br)S2
Tpsa: 25.78
Logp: 3.7916
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₂Br₂N₂S₂
Molecular Weight:
326.03
Synonyms:
None
SMILES:
BrC=1SC(=NC1)C2=NC=C(Br)S2
Tpsa:
25.78
Logp:
3.7916
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₄₃BrOS
Molecular Weight: 471.58
Synonyms: None
SMILES: O=CC=1SC(Br)=C(C1)CC(CCCCCCCC)CCCCCCCCCC
Tpsa: 17.07
Logp: 9.7632
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 19
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₄₃BrOS
Molecular Weight:
471.58
Synonyms:
None
SMILES:
O=CC=1SC(Br)=C(C1)CC(CCCCCCCC)CCCCCCCCCC
Tpsa:
17.07
Logp:
9.7632
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
19
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₆H₄₈N₂
Molecular Weight: 869.10
Synonyms: None
SMILES: C=1C=CC(=CC1)C=2C=3C=4C=CC=C5C(=CC=C(C54)C3C(C=6C=CC=CC6)=C7C8=CC=CC9=C(C=CC(=C98)C27)N(C%10=CC=C(C=C%10)C)C%11=CC=C(C=C%11)C)N(C%12=CC=C(C=C%12)C)C%13=CC=C(C=C%13)C
Tpsa: 6.48
Logp: 18.98868
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₆H₄₈N₂
Molecular Weight:
869.10
Synonyms:
None
SMILES:
C=1C=CC(=CC1)C=2C=3C=4C=CC=C5C(=CC=C(C54)C3C(C=6C=CC=CC6)=C7C8=CC=CC9=C(C=CC(=C98)C27)N(C%10=CC=C(C=C%10)C)C%11=CC=C(C=C%11)C)N(C%12=CC=C(C=C%12)C)C%13=CC=C(C=C%13)C
Tpsa:
6.48
Logp:
18.98868
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
8