2-(5-Amino-2-hydroxyphenyl)benzothiazole - CAS 30616-38-7

Catalog:	BB020660
Product Name:	2-(5-Amino-2-hydroxyphenyl)benzothiazole
CAS:	30616-38-7
Synonyms:	4-amino-2-(1,3-benzothiazol-2-yl)phenol

Technical Data

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Computed Properties

IUPAC Name:	4-amino-2-(1,3-benzothiazol-2-yl)phenol
Description:	2-(5-Amino-2-hydroxyphenyl)benzothiazole (CAS# 30616-38-7) is a useful research chemical.
Molecular Weight:	242.30
Molecular Formula:	C13H10N2OS
Canonical SMILES:	C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)N)O
InChI:	InChI=1S/C13H10N2OS/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H,14H2
InChI Key:	UBRCBHVOYDSGKZ-UHFFFAOYSA-N
Boiling Point:	349.4 °C at 760 mmHg
Purity:	95 %
Density:	1.408 g/cm³
Appearance:	Yellow powder
MDL:	MFCD00197455
LogP:	3.83230

Publication Number	Title	Priority Date
CN-107602504-A	One kind detects hypochlorous fluorescence probe and preparation method thereof and application method	20170928
AU-2018317401-A1	Targeted drugs associated with trimethylamine and/or trimethylamine-N-oxide	20170814
CN-111163761-A	Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide	20170814
EP-3668494-A1	Targeted drugs associated with trimethylamine and/or trimethylamine-n-oxide	20170814
KR-20200052298-A	Targeted drugs related to trimethylamine and / or trimethylamine N-oxide	20170814

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	276
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.05138412
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	242.05138412
Rotatable Bond Count:	1
Topological Polar Surface Area:	87.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2