4-Bromo-2-methylthiobenzamide - CAS 397845-03-3

Catalog:	BB024133
Product Name:	4-Bromo-2-methylthiobenzamide
CAS:	397845-03-3
Synonyms:	4-bromo-2-methylbenzenecarbothioamide

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2-methylbenzenecarbothioamide
Description:	4-Bromo-2-methylthiobenzamide (CAS# 397845-03-3 ) is a useful research chemical.
Molecular Weight:	230.12
Molecular Formula:	C8H8BrNS
Canonical SMILES:	CC1=C(C=CC(=C1)Br)C(=S)N
InChI:	InChI=1S/C8H8BrNS/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H2,10,11)
InChI Key:	KANLQQZRNHDXHE-UHFFFAOYSA-N
Boiling Point:	313.6 °C at 760 mmHg
Density:	1.55 g/cm³
Appearance:	White to tan solid
MDL:	MFCD09025669
LogP:	3.09200

Publication Number	Title	Priority Date
AU-2017346972-A1	Process for leaching metal sulfides with reagents having thiocarbonyl functional groups	20161019
CA-3032992-A1	Process for leaching metal sulfides with reagents having thiocarbonyl functional groups	20161019
CA-3052576-A1	Process for leaching metal sulfides with reagents having thiocarbonyl functional groups	20161019
EP-3529387-A1	Process for leaching metal sulfides with reagents having thiocarbonyl functional groups	20161019
US-2020048736-A1	Process for leaching metal sulfides with reagents having thiocarbonyl functional groups	20161019

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Related Functional Groups

Sulfur Compounds

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[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
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[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.95608
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.95608
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5