CS-0333496
2-((Cyanomethyl)sulfonyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 243984-87-4
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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
C₉H₇NO₄S
Molecular Weight
225.22
Synonyms
2-[(Cyanomethyl)sulfonyl]benzoic acid
SMILES
C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC#N
Tpsa
95.23
Logp
0.68208
H Acceptors
4
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 243984-87-4 | Benzoic acid, 2-[(cyanomethyl)sulfonyl]- | A2B Chem | -- |
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SAFETY INFORMATION
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Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₉H₇NO₄S
Molecular Weight: 225.22
Synonyms: 2-[(Cyanomethyl)sulfonyl]benzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC#N
Tpsa: 95.23
Logp: 0.68208
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:
C₉H₇NO₄S
Molecular Weight:
225.22
Synonyms:
2-[(Cyanomethyl)sulfonyl]benzoic acid
SMILES:
C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC#N
Tpsa:
95.23
Logp:
0.68208
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₈N₂O₃S
Molecular Weight: 330.40
Synonyms: Thieno[2,3-c]pyridine-3-carboxylic acid, 2-amino-6-benzoyl-4,5,6,7-tetrahydro-, ethyl ester
SMILES: CCOC(=O)C1=C(N)SC2=C1CCN(C2)C(=O)C3=CC=CC=C3
Tpsa: 72.63
Logp: 2.7055
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₈N₂O₃S
Molecular Weight:
330.40
Synonyms:
Thieno[2,3-c]pyridine-3-carboxylic acid, 2-amino-6-benzoyl-4,5,6,7-tetrahydro-, ethyl ester
SMILES:
CCOC(=O)C1=C(N)SC2=C1CCN(C2)C(=O)C3=CC=CC=C3
Tpsa:
72.63
Logp:
2.7055
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈O₃
Molecular Weight: 222.28
Synonyms: None
SMILES: CC1(C)C(C)(C)OC(C2=CC=CC=C2O)O1
Tpsa: 38.69
Logp: 2.9948
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈O₃
Molecular Weight:
222.28
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OC(C2=CC=CC=C2O)O1
Tpsa:
38.69
Logp:
2.9948
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₈FNO₂S
Molecular Weight: 249.26
Synonyms: 1-Fluoro-4-[(4-nitrophenyl)sulfanyl]benzene
SMILES: C1=C(C=CC(=C1)SC2=CC=C(C=C2)[N+](=O)[O-])F
Tpsa: 43.14
Logp: 3.8851
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₈FNO₂S
Molecular Weight:
249.26
Synonyms:
1-Fluoro-4-[(4-nitrophenyl)sulfanyl]benzene
SMILES:
C1=C(C=CC(=C1)SC2=CC=C(C=C2)[N+](=O)[O-])F
Tpsa:
43.14
Logp:
3.8851
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3