5-Aminobenzothiazole - CAS 1123-93-9

Catalog:	BB002958
Product Name:	5-Aminobenzothiazole
CAS:	1123-93-9
Synonyms:	1,3-benzothiazol-5-amine; 1,3-benzothiazol-5-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,3-benzothiazol-5-amine
Description:	5-Aminobenzothiazole (CAS# 1123-93-9) is a useful research chemical.
Molecular Weight:	150.20
Molecular Formula:	C7H6N2S
Canonical SMILES:	C1=CC2=C(C=C1N)N=CS2
InChI:	InChI=1S/C7H6N2S/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H,8H2
InChI Key:	UJZYHMZRXGNDFB-UHFFFAOYSA-N
Boiling Point:	323.1 °C at 760 mmHg
Density:	1.383 g/cm³
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD04115282
LogP:	2.45970

Publication Number	Title	Priority Date
CN-113461636-A	Benzothiazole-containing phenylalanine derivative and preparation method and application thereof	20210604
CN-113150884-A	Preparation method of fluorine-containing cleaning liquid composition	20210427
CN-113150885-A	Fluorine-containing cleaning liquid composition	20210427
CN-113161234-A	Application of fluorine-containing cleaning liquid composition	20210427
CN-113186043-A	Fluorine-containing cleaning liquid composition and application thereof	20210427

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Related Functional Groups

Benzoxazole/Benzothiazole

[1035840-45-9]
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6-Nitrobenzo[c]isothiazole
[1326714-98-0]
4-Bromobenzo[d]isothiazole
[1855907-41-3]
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
[139549-26-1]
2-(Chloromethyl)-7-methylbenzoxazole
[858635-83-3]
7-(2-bromoacetyl)-4-hydroxy-2,3-dihydro-1,3-benzothiazol-2-one

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GHS Hazard Statement:	H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.02516937
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.02516937
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3