3-[(Phenylmethyl)thio]propanoic acid
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3-[(Phenylmethyl)thio]propanoic acid
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CAS No:
2899-66-3
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Formula:
C10H12O2S
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Chemical Name:
3-[(Phenylmethyl)thio]propanoic acid
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Synonyms:
Propanoic acid,3-[(phenylmethyl)thio]-;Propionic acid,3-(benzylthio)-;3-[(Phenylmethyl)thio]propanoic acid;β-(Benzylthio)propionic acid;3-(Benzylthio)propionic acid;S-Benzyl-β-mercaptopropionic acid;3-(Benzylthio)propanoic acid;NSC 5996;NSC 8528;3-(Benzylsulfanyl)propanoic acid
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CAS No:
3-[(Phenylmethyl)thio]propanoic acid Basic Attributes
196.27
196.27
8528|5996
DTXSID00278085
2930909090
Safety Information
R20/21/22
26-36
Xn
P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:196.27
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:196.05580079
Monoisotopic Mass:196.05580079
Topological Polar Surface Area:62.6
Heavy Atom Count:13
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-[(Phenylmethyl)thio]propanoic acid
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CN
6 YRS
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3-[(Phenylmethyl)thio]propanoic acid
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