CAS 1013-24-7 1-(2-(Methylthio)phenyl)piperazine (HCID 2736895)

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Basic information

CAS: 1013-24-7
Standard SMILES: CSc1ccccc1N1CCNCC1
InChIKey: RXJURXTXLCOIDY-UHFFFAOYSA-N
Molecular formula: C11H16N2S
Average molar mass: 208.33 g/mol
Monoisotopic mass: 208.10341951

Names & identifiers

Preferred name: 1-(2-(Methylthio)phenyl)piperazine
IUPAC: 1-(2-methylsulfanylphenyl)piperazine
English name: 1-(2-Methylmercaptophenyl)piperazine
Molecular formula: C11H16N2S
Molecular weight: 208.32

Names & synonyms

1013-24-71-[2-(methylthio)phenyl]piperazine1-(2-(Methylthio)phenyl)piperazineDTXSID40371685RefChem:223093DTXCID003227191-(2-Methylmercaptophenyl)piperazine1-[2-(Methylsulfanyl)phenyl]piperazine1-(2-methylsulfanylphenyl)piperazineMFCD000407951-(2-methylthiophenyl)piperazinePiperazine, 1-[o-(methylthio)phenyl]-

Show more names

Methylmercaptophenylpiperazine1-[o-(methylthio)phenyl]-Piperazine1-[2-(Methylthio)phenyl]piperazine96%1-[2-(Methylthio)phenyl]piperazine 96%

Piperazine, 1-[2-(methylthio)phenyl]-Piperazine,1-[2-(methylthio)phenyl]-SCHEMBL336256CHEMBL5042931-methylthio-2-piperazinylbenzeneRXJURXTXLCOIDY-UHFFFAOYSA-N1-(2-methylthiophenyl)-piperazineAKOS005765925

Database identifiers

CAS: 1013-24-7
PubChem CID: 2736895
DTXSID: DTXSID40371685
ChEMBL: CHEMBL504293
EC Number: 674-740-3

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 169

Physicochemical properties

Boiling point: 139 °C · 139 °C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Hazard Codes: Xi,T
Risk Statements: 36 · 36/37/38-25
Safety Statements: 26 · 26-36/37/39-45
HazardClass: IRRITANT
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933599590
risk_code: 36/37/38-25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501