CS-0928873
3-Cyano-4-methoxy-5-(methylthio)benzoic acid
Manufacturer: ChemScene
CAS Number: 2517628-02-1
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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
C₁₀H₉NO₃S
Molecular Weight
223.25
Synonyms
None
SMILES
N#CC=1C=C(C=C(SC)C1OC)C(=O)O
Tpsa
70.32
Logp
1.98698
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: C₁₀H₉NO₃S
Molecular Weight: 223.25
Synonyms: None
SMILES: N#CC=1C=C(C=C(SC)C1OC)C(=O)O
Tpsa: 70.32
Logp: 1.98698
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:
C₁₀H₉NO₃S
Molecular Weight:
223.25
Synonyms:
None
SMILES:
N#CC=1C=C(C=C(SC)C1OC)C(=O)O
Tpsa:
70.32
Logp:
1.98698
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: C₈H₅Br₂N₃O₂
Molecular Weight: 334.95
Synonyms: None
SMILES: O=N(=O)C=1C=C(Br)C=2N=C(NC2C1Br)C
Tpsa: 71.82
Logp: 3.30452
H Acceptors: 3
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:
C₈H₅Br₂N₃O₂
Molecular Weight:
334.95
Synonyms:
None
SMILES:
O=N(=O)C=1C=C(Br)C=2N=C(NC2C1Br)C
Tpsa:
71.82
Logp:
3.30452
H Acceptors:
3
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: C₁₃H₁₆N₂O
Molecular Weight: 216.28
Synonyms: None
SMILES: O=CC=1C=2C=CN=CC2N(C1C(C)(C)C)C
Tpsa: 34.89
Logp: 2.6833
H Acceptors: 3
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:
C₁₃H₁₆N₂O
Molecular Weight:
216.28
Synonyms:
None
SMILES:
O=CC=1C=2C=CN=CC2N(C1C(C)(C)C)C
Tpsa:
34.89
Logp:
2.6833
H Acceptors:
3
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: C₁₂H₁₄N₂O
Molecular Weight: 202.25
Synonyms: None
SMILES: O=CC=1C=2C=CN=CC2N(C1C(C)C)C
Tpsa: 34.89
Logp: 2.5092
H Acceptors: 3
H Donors: 0
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:
C₁₂H₁₄N₂O
Molecular Weight:
202.25
Synonyms:
None
SMILES:
O=CC=1C=2C=CN=CC2N(C1C(C)C)C
Tpsa:
34.89
Logp:
2.5092
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2