2-Bromothiobenzamide - CAS 30216-44-5

Catalog:	BB020491
Product Name:	2-Bromothiobenzamide
CAS:	30216-44-5
Synonyms:	2-bromobenzenecarbothioamide

Technical Data

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Computed Properties

IUPAC Name:	2-bromobenzenecarbothioamide
Description:	2-Bromothiobenzamide (CAS# 30216-44-5) is a useful research chemical.
Molecular Weight:	216.10
Molecular Formula:	C7H6BrNS
Canonical SMILES:	C1=CC=C(C(=C1)C(=S)N)Br
InChI:	InChI=1S/C7H6BrNS/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChI Key:	GHCQWSAFBXLYSO-UHFFFAOYSA-N
Boiling Point:	307 °C at 760 mmHg
Melting Point:	83 °C
Purity:	98+ %
Density:	1.634 g/cm³
Appearance:	White to tan solid
Storage:	Refrigerator (+4 °C)
MDL:	MFCD04973314
LogP:	2.78360

Publication Number	Title	Priority Date
CN-110950836-A	Preparation method of benzodithiol heterocyclic alkene skeleton compound	20191213
WO-2020130325-A1	Graphene quantum dot composite comprising dielectric matrix, electroluminescent device comprising same, and method for preparing graphene quantum dot composite	20181220
KR-102184401-B1	Graphene quantum dot composite with dielectric matrix, electroluminescent device having the same, and method for manufacturing the graphene quantum dot composite	20181220
KR-20200077048-A	Graphene quantum dot composite with dielectric matrix, electroluminescent device having the same, and method for manufacturing the graphene quantum dot composite	20181220
CN-108344719-A	A kind of sensor detected for halogenated alkane and its application based on complex of iridium	20180103

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.94043
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.94043
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4