CS-0582989
3-(Thiophen-3-ylcarbamoyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1504135-67-4
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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
C₁₂H₉NO₃S
Molecular Weight
247.27
Synonyms
None
SMILES
O=C(O)C1=CC=CC(C(NC2=CSC=C2)=O)=C1
Tpsa
66.4
Logp
2.6986
H Acceptors
3
H Donors
2
Rotatable Bonds
3
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₉NO₃S
Molecular Weight: 247.27
Synonyms: None
SMILES: O=C(O)C1=CC=CC(C(NC2=CSC=C2)=O)=C1
Tpsa: 66.4
Logp: 2.6986
H Acceptors: 3
H Donors: 2
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:
C₁₂H₉NO₃S
Molecular Weight:
247.27
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(C(NC2=CSC=C2)=O)=C1
Tpsa:
66.4
Logp:
2.6986
H Acceptors:
3
H Donors:
2
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: C₁₉H₂₂O₂
Molecular Weight: 282.38
Synonyms: Benzoic acid, 2,4,6-trimethyl-, 2,4,6-trimethylphenyl ester
SMILES: CC1=CC(=C(C(=C1)C)C(=O)OC2=C(C=C(C=C2C)C)C)C
Tpsa: 26.3
Logp: 4.75632
H Acceptors: 2
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:
C₁₉H₂₂O₂
Molecular Weight:
282.38
Synonyms:
Benzoic acid, 2,4,6-trimethyl-, 2,4,6-trimethylphenyl ester
SMILES:
CC1=CC(=C(C(=C1)C)C(=O)OC2=C(C=C(C=C2C)C)C)C
Tpsa:
26.3
Logp:
4.75632
H Acceptors:
2
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: C₈H₁₂ClN₃S
Molecular Weight: 217.72
Synonyms: None
SMILES: ClC1=CN=C(CN2CCNCC2)S1
Tpsa: 28.16
Logp: 1.2017
H Acceptors: 4
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:
C₈H₁₂ClN₃S
Molecular Weight:
217.72
Synonyms:
None
SMILES:
ClC1=CN=C(CN2CCNCC2)S1
Tpsa:
28.16
Logp:
1.2017
H Acceptors:
4
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: C₁₄H₂₁N
Molecular Weight: 203.32
Synonyms: None
SMILES: CC1=CC=C(C=C1)C2(CC(C2)(C)C)CN
Tpsa: 26.02
Logp: 3.01152
H Acceptors: 1
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:
C₁₄H₂₁N
Molecular Weight:
203.32
Synonyms:
None
SMILES:
CC1=CC=C(C=C1)C2(CC(C2)(C)C)CN
Tpsa:
26.02
Logp:
3.01152
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2