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3-(Benzylthio)propionicacidmethylester

3-(Benzylthio)propionicacidmethylester structure

CAS No:
5331-36-2
Formula:
C11H14O2S
Chemical Name:
3-(Benzylthio)propionicacidmethylester
Synonyms:
Methyl 3-(benzylthio)propionate;methyl 3-(benzylthio)propanoate;methyl 3-benzylsulfanylpropanoate;SCHEMBL8895881;CTK4J7561;DTXSID40277416;NSC2278;NSC-2278;ZINC1640795;AKOS008951625

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3-(Benzylthio)propionicacidmethylester Basic Attributes

Molecular Weight：

210.291

Exact Mass：

210.071

NSC Number：

2278

DSSTox ID：

DTXSID40277416

Characteristics

PSA：

51.6

XLogP3：

2.2

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:210.29
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:210.07145086
Monoisotopic Mass:210.07145086
Topological Polar Surface Area:51.6
Heavy Atom Count:14
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Benzylthio)propionicacidmethylester

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(Benzylthio)propionicacidmethylester

SDS

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