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4-(methylsulfanylmethyl)aniline

4-(methylsulfanylmethyl)aniline structure

CAS No:
54293-04-8
Formula:
C8H11NS
Chemical Name:
4-(methylsulfanylmethyl)aniline
Synonyms:
4-[(methylsulfanyl)methyl]aniline;54293-04-8;4-(methylsulfanylmethyl)aniline;NSC147342;4-(Methylthiomethyl)aniline;SCHEMBL514209;4-((Methylthio)methyl)aniline;DTXSID00301903;ZINC1729092;AKOS008142997;MCULE-7912881430;NE15587;NSC-147342;EN300-66647

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4-(methylsulfanylmethyl)aniline Basic Attributes

Molecular Weight：

153.25 g/mol

Exact Mass：

153.06122053 g/mol

NSC Number：

147342

DSSTox ID：

DTXSID00301903

Characteristics

PSA：

51.3 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:153.25
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:153.06122053
Monoisotopic Mass:153.06122053
Topological Polar Surface Area:51.3
Heavy Atom Count:10
Complexity:87.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(methylsulfanylmethyl)aniline

Basic Attributes
Characteristics
Safety Information
Computed Properties

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