CS-0333171
2-(2-Formyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 309736-20-7
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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
C₁₄H₁₃NO₃S
Molecular Weight
275.32
Synonyms
2-(2-formyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SMILES
C1CCC2=C(C1)C(=C(N3C=CC=C3C=O)S2)C(=O)O
Tpsa
59.3
Logp
2.9283
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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: C₁₄H₁₃NO₃S
Molecular Weight: 275.32
Synonyms: 2-(2-formyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SMILES: C1CCC2=C(C1)C(=C(N3C=CC=C3C=O)S2)C(=O)O
Tpsa: 59.3
Logp: 2.9283
H Acceptors: 4
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:
C₁₄H₁₃NO₃S
Molecular Weight:
275.32
Synonyms:
2-(2-formyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SMILES:
C1CCC2=C(C1)C(=C(N3C=CC=C3C=O)S2)C(=O)O
Tpsa:
59.3
Logp:
2.9283
H Acceptors:
4
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: C₁₃H₁₄O₃
Molecular Weight: 218.25
Synonyms: None
SMILES: C#CC(O)(C)CCC1=CC=C(OCO2)C2=C1
Tpsa: 38.69
Logp: 1.7321
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:
C₁₃H₁₄O₃
Molecular Weight:
218.25
Synonyms:
None
SMILES:
C#CC(O)(C)CCC1=CC=C(OCO2)C2=C1
Tpsa:
38.69
Logp:
1.7321
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₈F₃N₃OS₂
Molecular Weight: 319.33
Synonyms: None
SMILES: O=C(NC1=NN=C(C(F)(F)F)S1)CSC2=CC=CC=C2
Tpsa: 54.88
Logp: 3.2877
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₈F₃N₃OS₂
Molecular Weight:
319.33
Synonyms:
None
SMILES:
O=C(NC1=NN=C(C(F)(F)F)S1)CSC2=CC=CC=C2
Tpsa:
54.88
Logp:
3.2877
H Acceptors:
5
H Donors:
1
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: C₁₅H₁₁F₃N₄O₂
Molecular Weight: 336.27
Synonyms: 6-amino-4-(2-methoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: COC1=CC=CC=C1C2C(=C(N)OC3=NNC(=C23)C(F)(F)F)C#N
Tpsa: 96.95
Logp: 2.65528
H Acceptors: 5
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:
C₁₅H₁₁F₃N₄O₂
Molecular Weight:
336.27
Synonyms:
6-amino-4-(2-methoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES:
COC1=CC=CC=C1C2C(=C(N)OC3=NNC(=C23)C(F)(F)F)C#N
Tpsa:
96.95
Logp:
2.65528
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2