CS-0585625
2-(2-(Methylthio)benzamido)butanoic acid
Manufacturer: ChemScene
CAS Number: 1218745-69-7
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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
C₁₂H₁₅NO₃S
Molecular Weight
253.32
Synonyms
None
SMILES
O=C(O)C(NC(=O)C=1C=CC=CC1SC)CC
Tpsa
66.4
Logp
2.0015
H Acceptors
3
H Donors
2
Rotatable Bonds
5
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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: C₁₂H₁₅NO₃S
Molecular Weight: 253.32
Synonyms: None
SMILES: O=C(O)C(NC(=O)C=1C=CC=CC1SC)CC
Tpsa: 66.4
Logp: 2.0015
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅NO₃S
Molecular Weight:
253.32
Synonyms:
None
SMILES:
O=C(O)C(NC(=O)C=1C=CC=CC1SC)CC
Tpsa:
66.4
Logp:
2.0015
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃ClN₂O₃
Molecular Weight: 268.70
Synonyms: 1-[(4-Chloro-2-pyridinyl)carbonyl]-2-piperidinecarboxylic acid
SMILES: C1CCN(C(C1)C(=O)O)C(=O)C2=NC=CC(=C2)Cl
Tpsa: 70.5
Logp: 1.8143
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:
C₁₂H₁₃ClN₂O₃
Molecular Weight:
268.70
Synonyms:
1-[(4-Chloro-2-pyridinyl)carbonyl]-2-piperidinecarboxylic acid
SMILES:
C1CCN(C(C1)C(=O)O)C(=O)C2=NC=CC(=C2)Cl
Tpsa:
70.5
Logp:
1.8143
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: C₁₂H₁₃F₂NO₂
Molecular Weight: 241.23
Synonyms: None
SMILES: C1CCN(C1)C(C2=C(C=C(C=C2)F)F)C(=O)O
Tpsa: 40.54
Logp: 2.1863
H Acceptors: 2
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:
C₁₂H₁₃F₂NO₂
Molecular Weight:
241.23
Synonyms:
None
SMILES:
C1CCN(C1)C(C2=C(C=C(C=C2)F)F)C(=O)O
Tpsa:
40.54
Logp:
2.1863
H Acceptors:
2
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: C₁₀H₁₃BrN₂O₂
Molecular Weight: 273.13
Synonyms: None
SMILES: CNC(C1=C(C=CC(=C1)Br)OC)C(=O)N
Tpsa: 64.35
Logp: 1.2035
H Acceptors: 3
H Donors: 2
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:
C₁₀H₁₃BrN₂O₂
Molecular Weight:
273.13
Synonyms:
None
SMILES:
CNC(C1=C(C=CC(=C1)Br)OC)C(=O)N
Tpsa:
64.35
Logp:
1.2035
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4