CAS 161315-14-6 Methyl 4-aminothiane-4-carboxylate hydrochloride (HCID 22907152)

Substructure search Find similar structures

Basic information

CAS: 161315-14-6
Standard SMILES: COC(=O)C1(N)CCSCC1.Cl
InChIKey: YPSZVCJOAQFOAM-UHFFFAOYSA-N
Molecular formula: C7H14ClNO2S
Average molar mass: 211.71 g/mol
Monoisotopic mass: 211.04337737

Names & identifiers

Preferred name: Methyl 4-aminothiane-4-carboxylate hydrochloride
IUPAC: methyl 4-aminothiane-4-carboxylate;hydrochloride
English name: 4-Aminotetrahydrothiopyran-4-carboxylic acid methyl ester HCl
Molecular formula: C7H13NO2S.ClH
Molecular weight: 211.712

Names & synonyms

methyl 4-aminothiane-4-carboxylate hydrochlorideRefChem:816203836-498-9161315-14-6Methyl 4-aminotetrahydro-2H-thiopyran-4-carboxylate hydrochlorideMFCD09608000methyl 4-aminothiane-4-carboxylate;hydrochloride4-Aminotetrahydrothiopyran-4-carboxylic acid methyl ester HClMethyl4-aminotetrahydro-2H-thiopyran-4-carboxylatehydrochlorideSCHEMBL3928099DTXSID60628845YPSZVCJOAQFOAM-UHFFFAOYSA-N

Show more names

4-Aminotetrahydrothiopyran-4-carboxylic acid methyl ester hydrochloride4-aminotetrahydro-2H-Thiopyran-4-carboxylic acid methyl ester hydrochloride

LGA31514AKOS026743044DA-21344SY037053CS-0235285EN300-1549924-amino-4-carbomethoxy-tetrahydrothiopyran hydrochlorideZ1741785951

Database identifiers

CAS: 161315-14-6
PubChem CID: 22907152
DTXSID

Properties

Computed structural properties

Topological polar surface area: 77.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 155

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H302-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H302-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501