CS-0883263
3-Cyano-5-(methylthio)benzoic acid
Manufacturer: ChemScene
CAS Number: 453565-99-6
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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
C₉H₇NO₂S
Molecular Weight
193.22
Synonyms
None
SMILES
O=C(O)C1=CC(SC)=CC(C#N)=C1
Tpsa
61.09
Logp
1.97838
H Acceptors
3
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 453565-99-6 | 3-cyano-5-(methylthio)benzoic acid | A2B Chem | -- |
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: C₉H₇NO₂S
Molecular Weight: 193.22
Synonyms: None
SMILES: O=C(O)C1=CC(SC)=CC(C#N)=C1
Tpsa: 61.09
Logp: 1.97838
H Acceptors: 3
H Donors: 1
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:
C₉H₇NO₂S
Molecular Weight:
193.22
Synonyms:
None
SMILES:
O=C(O)C1=CC(SC)=CC(C#N)=C1
Tpsa:
61.09
Logp:
1.97838
H Acceptors:
3
H Donors:
1
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: C₆H₉ClN₂O
Molecular Weight: 160.60
Synonyms: None
SMILES: O=C1N(C2CC2)NC=C1.Cl
Tpsa: 37.79
Logp: 0.9331
H Acceptors: 2
H Donors: 1
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:
C₆H₉ClN₂O
Molecular Weight:
160.60
Synonyms:
None
SMILES:
O=C1N(C2CC2)NC=C1.Cl
Tpsa:
37.79
Logp:
0.9331
H Acceptors:
2
H Donors:
1
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: C₉H₇NO₂S
Molecular Weight: 193.22
Synonyms: None
SMILES: O=C(O)C1=CC=C(C#N)C(SC)=C1
Tpsa: 61.09
Logp: 1.97838
H Acceptors: 3
H Donors: 1
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:
C₉H₇NO₂S
Molecular Weight:
193.22
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C#N)C(SC)=C1
Tpsa:
61.09
Logp:
1.97838
H Acceptors:
3
H Donors:
1
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: C₁₂H₁₄O₄
Molecular Weight: 222.24
Synonyms: None
SMILES: O[C@H]1C[C@@H](C(OCC2=CC=CC=C2)=O)OC1
Tpsa: 55.76
Logp: 0.8796
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:
C₁₂H₁₄O₄
Molecular Weight:
222.24
Synonyms:
None
SMILES:
O[C@H]1C[C@@H](C(OCC2=CC=CC=C2)=O)OC1
Tpsa:
55.76
Logp:
0.8796
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3