2-Amino-4,5,6,7-tetrahydrobenzothiazole

HCID 18046CAS 2933-29-1

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1nc2c(s1)CCCC2
InChIKey: SMWAOXCEPHEGFV-UHFFFAOYSA-N
Molecular formula: C7H10N2S
Average molar mass: 154.24 g/mol
Monoisotopic mass: 154.05646932

Overview

structure in first source

Names & identifiers

Preferred name: 2-Amino-4,5,6,7-tetrahydrobenzothiazole
IUPAC: 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
English name: 4,5,6,7-tetrahydro-2-amino-benzothiazol
Molecular formula: C7H10N2S
Molecular weight: 154.2327

Names & synonyms

2-Amino-4,5,6,7-tetrahydrobenzothiazole2-ATBT cpdRefChem:5075022933-29-14,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine4,5,6,7-tetrahydrobenzo[d]thiazol-2-amine4,5,6,7-Tetrahydro-benzothiazol-2-ylamine2-Benzothiazolamine, 4,5,6,7-tetrahydro-MFCD000228512-Amino-4,5-tetramethylenethiazole4,5,6,7-Tetrahydro-2-benzothiazolamine4,5,6,7-Tetrahydro-2-aminobenzothiazole

Show more names

4,5,6,7-tetrahydro-2-amino-benzothiazol

BENZOTHIAZOLE, 4,5,6,7-TETRAHYDRO-2-AMINO-4,5,6,7-tetrahydrobenzothiazole-2-ylamineF1040-00064,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamineOprea1_480082SCHEMBL558522SCHEMBL788014orb3029458

Database identifiers

CAS: 2933-29-1
PubChem CID: 18046
DTXSID: DTXSID20183566
ChEMBL: CHEMBL1178797
EC Number: 636-709-2
Nikkaji: J1.397.435G

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Physicochemical properties

Melting point: 87 · 87-88 °C(Solv: ligroine (8032-32-4))
Boiling point: 100 °C · 100 °C(Press: 0.001 Torr)
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
pka: 5.95 · 5.95±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-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)

Aggregated GHS information provided per 40 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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501