1-(3-Bromophenyl)thiourea - CAS 21327-14-0

Name: 1-(3-Bromophenyl)thiourea
Brand: BOC Sciences
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Catalog:	BB016769
Product Name:	1-(3-Bromophenyl)thiourea
CAS:	21327-14-0
Synonyms:	(3-bromophenyl)thiourea; (3-bromophenyl)thiourea

Technical Data

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Computed Properties

IUPAC Name:	(3-bromophenyl)thiourea
Description:	1-(3-Bromophenyl)thiourea (CAS# 21327-14-0) is a useful research chemical.
Molecular Weight:	231.11
Molecular Formula:	C7H7BrN2S
Canonical SMILES:	C1=CC(=CC(=C1)Br)NC(=S)N
InChI:	InChI=1S/C7H7BrN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:	XBRVSIPVHYWULW-UHFFFAOYSA-N
Boiling Point:	314.7 °C at 760 mmHg
Density:	1.728 g/cm³
Appearance:	Solid
LogP:	2.87790

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021028919-A1	Methods and compositions for preventing skin toxicities caused by biological targeted cancer drugs	20190812
US-2020102228-A1	METHODS OF DEGRADING ORGANIC POLLUTANTS AND PREVENTING OR TREATING MICROBE USING Bi2S3-CdS PARTICLES	20180927
US-10934176-B2	Methods of degrading organic pollutants and preventing or treating microbe using Bi2S3-CdS particles	20180927
US-2021061670-A1	Method for preventing or reducing growth of a microorganism on a surface	20180927
WO-2019078246-A1	IDO / TDO INHIBITOR	20171019

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.95133
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	229.95133
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7