Basic information
- CAS
83171-39-5- Standard SMILES
CSc1ccc(CN)cc1- InChIKey
SBMPBXFNKYJNIC-UHFFFAOYSA-N- Molecular formula
- C8H11NS
- Average molar mass
- 153.25 g/mol
- Monoisotopic mass
- 153.06122035
Names & identifiers
- Preferred name
- 4-(Methylthio)benzylamine
- IUPAC
- (4-methylsulfanylphenyl)methanamine
- English name
- 4-(METHYLTHIO)BENZYLAMINE
- Molecular formula
- C8H11NS
- Molecular weight
- 153.24
Names & synonyms
4-(methylthio)benzylamine83171-39-5DTXSID50375013RefChem:289205DTXCID30326043671-237-0(4-(Methylthio)phenyl)methanamine[4-(methylsulfanyl)phenyl]methanamine(4-methylsulfanylphenyl)methanamineMFCD013108314-methylsulfanyl-benzylamineBenzenemethanamine, 4-(methylthio)-
Show more names
4-(Methylthio)benzenemethanamine[4-(methylsulfanyl)phenyl]methanamine - [M25557]
1-[4-(methylsulfanyl)phenyl]methanamine(4-methylthiophenyl)methylamine4-(Methylthio)benzyl amine[4-(methylthio)benzyl]amine4-methylthiobenzylamine1-[4-(methylthio)phenyl]methanamineRARECHEM AL BW 21474-(methylthio)-benzylamine
Database identifiers
- CAS
83171-39-5- PubChem CID
- 2760080
- DTXSID
DTXSID50375013- ChEMBL
CHEMBL4557283- EC Number
- 671-237-0
- Nikkaji
- J1.403.507I
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
- Formal charge
- 0
- Complexity
- 87.3
Physicochemical properties
- Boiling point
- 114 °C · 114 °C
- Density
- 1 · 1,1 g/cm3
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 9.13 · 9.13±0.10(Predicted)
- form
- liquid
- color
- Colourless
- InChI
- InChI=1S/C8H11NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
- InChIKey
- SBMPBXFNKYJNIC-UHFFFAOYSA-N
- SMILES
- C1(CN)=CC=C(SC)C=C1
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,C,Xn
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- wgk
- WGK 3
- hs_code
- 2921199990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT, STENCH, CORROSIVE
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-(Methylthio)Benzylamine is a useful research chemical.
Upstream & downstream products
Upstream raw materials
Suppliers60 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
常州稀亚生物科技有限公司13775267187
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
7 records
Compound notes
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