1-Propanethiol, 3-amino-

HCID 97436

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Basic information

CAS: 462-47-5
Standard SMILES: NCCCS
InChIKey: IYGAMTQMILRCCI-UHFFFAOYSA-N
Molecular formula: C3H9NS
Average molar mass: 91.18 g/mol
Monoisotopic mass: 91.04557029

Overview

3-aminopropane-1-thiol is a thiol.

Names & identifiers

Preferred name: 1-Propanethiol, 3-amino-
IUPAC: 3-aminopropane-1-thiol
English name: 3-aminopropanethiol
Molecular formula: C3H9NS
Molecular weight: 91.18

Names & synonyms

462-47-51-Propanethiol, 3-amino-DTXSID50196765RefChem:1056891DTXCID90119256207-326-43-Aminopropanethiol3-aminopropane-1-thiol3-MercaptopropylamineHomocysteamine3-amino-1-propanethiolMercaptopropylamine

Show more names

3-azanylpropane-1-thiol3-aminopropanethiol ISO 9001：2015 REACH1-Propanethiol, 3-amino- (6CI,7CI,8CI,9CI)https://www.chemicalbook.com/ProdSupplierGNCB1896013.htm

NSC-123021EINECS 207-326-43-Amino-propane-1-thiolNSC 123021BRN 1731100aminopropylmercaptan4LJXL3

Database identifiers

CAS: 462-47-5
PubChem CID: 97436
DTXSID: DTXSID50196765
ChEBI: CHEBI:38933
UNII: WAK2PRR76C
EC Number: 207-326-4
Nikkaji: J79.625E

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 27 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 5
Formal charge: 0
Complexity: 16.4

Physicochemical properties

Melting point: 112 · 112-113 °C
Boiling point: 151.4 · 151.4±23.0 °C(Predicted)
Density: 0.951 · 0.951±0.06 g/cm3(Predicted)
pka: 9.29 · 9.29±0.10(Predicted)
EWG's Food Scores: 1 · 1
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 227 · H227-H302-H312-H314-H332-H335-H401-H412
Precautionary statements: 210 · P210-P261-P264-P270-P271-P273-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P370+P378-P403+P233-P403+P235-P405-P501

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

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H227-H302-H312-H314-H332-H335-H401-H412
Precautionary statements: P210-P261-P264-P270-P271-P273-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P370+P378-P403+P233-P403+P235-P405-P501