2-(Methylthio)benzylamine

HCID 2736981
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Basic information

CAS
56004-83-2
Standard SMILES
CSc1ccccc1CN
InChIKey
YVEJLBIEESKJLG-UHFFFAOYSA-N
Molecular formula
C8H11NS
Average molar mass
153.25 g/mol
Monoisotopic mass
153.06122053

Names & identifiers

Preferred name
2-(Methylthio)benzylamine
IUPAC
(2-methylsulfanylphenyl)methanamine
English name
2-(Methylthio)benzylamine
Molecular formula
C8H11NS
Molecular weight
153.24

Names & synonyms

2-(Methylthio)benzylamine56004-83-2(2-(methylthio)phenyl)methanamine(2-methylsulfanylphenyl)methanamineMFCD00831039[2-(Methylsulfanyl)Phenyl]Methanamine2-(Methylsulphanyl)benzylamine1-[2-(methylthio)phenyl]methanamine1-[2-(METHYLSULFANYL)PHENYL]METHANAMINERARECHEM AL BW 13582-methylthiobenzylamine2-methylthio benzylamine
Show more names
BUTTPARK 95\04-262-methylsulfanylphenylmethanamineBenzenemethanamine, 2-(methylthio)-[2-(Methylsulphanyl)phenyl]methylamine, 2-(Aminomethyl)phenyl methyl sulphide
2-(Metylthio)benzylamine2-(Methylthio)benzyl amine2-(methylthio)-benzyl amineSCHEMBL453383(2-methylthiophenyl)methylamineSCHEMBL7048508SCHEMBL280726182-(methylthio)-benzenemethanamine

Database identifiers

CAS
56004-83-2
PubChem CID
2736981
DTXSID
DTXSID00371742

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
51.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Boiling point
139 · 139-141°C 15mm
storage temp.
2 · 2-8°C, protect from light, stored under nitrogen
form
liquid
color
Yellow
Symbol(GHS)
5 · GHS05
Signal word
Danger

Safety & regulation

Safety data

hs_code
2930909899
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C
hazard_note
Corrosive

Chemistry & industry

Upstream & downstream products

Suppliers16 total

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
常州稀亚生物科技有限公司13775267187
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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