CS-0535394
(S)-2-amino-2-(4-(methylthio)phenyl)acetic acid
Manufacturer: ChemScene
CAS Number: 114976-77-1
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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
C₉H₁₁NO₂S
Molecular Weight
197.25
Synonyms
Benzeneacetic acid, α-amino-4-(methylthio)-, (S)- (9CI)
SMILES
O=C(O)[C@@H](N)C1=CC=C(SC)C=C1
Tpsa
63.32
Logp
1.4929
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
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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: C₉H₁₁NO₂S
Molecular Weight: 197.25
Synonyms: Benzeneacetic acid, α-amino-4-(methylthio)-, (S)- (9CI)
SMILES: O=C(O)[C@@H](N)C1=CC=C(SC)C=C1
Tpsa: 63.32
Logp: 1.4929
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:
C₉H₁₁NO₂S
Molecular Weight:
197.25
Synonyms:
Benzeneacetic acid, α-amino-4-(methylthio)-, (S)- (9CI)
SMILES:
O=C(O)[C@@H](N)C1=CC=C(SC)C=C1
Tpsa:
63.32
Logp:
1.4929
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: C₇H₁₁ClN₂O
Molecular Weight: 174.63
Synonyms: None
SMILES: [C@H](CO)(N)C=1C=CN=CC1.Cl
Tpsa: 59.14
Logp: 0.4955
H Acceptors: 3
H Donors: 2
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:
C₇H₁₁ClN₂O
Molecular Weight:
174.63
Synonyms:
None
SMILES:
[C@H](CO)(N)C=1C=CN=CC1.Cl
Tpsa:
59.14
Logp:
0.4955
H Acceptors:
3
H Donors:
2
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: C₉H₉ClF₃NO₂
Molecular Weight: 255.62
Synonyms: (S)-Amino-(4-trifluoromethyl-phenyl)-acetic acid hydrochloride
SMILES: O=C(O)[C@@H](N)C1=CC=C(C(F)(F)F)C=C1.[H]Cl
Tpsa: 63.32
Logp: 2.2116
H Acceptors: 2
H Donors: 2
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:
C₉H₉ClF₃NO₂
Molecular Weight:
255.62
Synonyms:
(S)-Amino-(4-trifluoromethyl-phenyl)-acetic acid hydrochloride
SMILES:
O=C(O)[C@@H](N)C1=CC=C(C(F)(F)F)C=C1.[H]Cl
Tpsa:
63.32
Logp:
2.2116
H Acceptors:
2
H Donors:
2
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: C₈H₁₀BrClFNO
Molecular Weight: 270.53
Synonyms: (2S)-2-AMINO-2-(5-BROMO-2-FLUOROPHENYL)ETHAN-1-OL HYDROCHLORIDE
SMILES: OC[C@@H](N)C1=CC(Br)=CC=C1F.[H]Cl
Tpsa: 46.25
Logp: 2.0021
H Acceptors: 2
H Donors: 2
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:
C₈H₁₀BrClFNO
Molecular Weight:
270.53
Synonyms:
(2S)-2-AMINO-2-(5-BROMO-2-FLUOROPHENYL)ETHAN-1-OL HYDROCHLORIDE
SMILES:
OC[C@@H](N)C1=CC(Br)=CC=C1F.[H]Cl
Tpsa:
46.25
Logp:
2.0021
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2