1-(2-Bromophenyl)-2-thiourea - CAS 5391-30-0

Catalog:	BB028392
Product Name:	1-(2-Bromophenyl)-2-thiourea
CAS:	5391-30-0
Synonyms:	(2-bromophenyl)thiourea

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Computed Properties

IUPAC Name:	(2-bromophenyl)thiourea
Description:	1-(2-Bromophenyl)-2-thiourea (CAS# 5391-30-0) is a useful research chemical.
Molecular Weight:	231.11
Molecular Formula:	C7H7BrN2S
Canonical SMILES:	C1=CC=C(C(=C1)NC(=S)N)Br
InChI:	InChI=1S/C7H7BrN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:	QIGMVYSPXPXCPN-UHFFFAOYSA-N
Boiling Point:	314.2 °C at 760 mmHg
Purity:	98 %
Density:	1.728 g/cm³
MDL:	MFCD00041146
LogP:	2.87790

Publication Number	Title	Priority Date
KR-20210052269-A	Novel Compound for Crop Protection	20191029
WO-2021086044-A1	Novel compound for crop protectant	20191029
CN-110590785-A	Aminothiazole compound, preparation method thereof and application of aminothiazole compound in resisting enterovirus 71	20190923
CN-110590785-B	Aminothiazole compound, preparation method thereof and application of aminothiazole compound in resisting enterovirus 71	20190923
US-2020102228-A1	METHODS OF DEGRADING ORGANIC POLLUTANTS AND PREVENTING OR TREATING MICROBE USING Bi2S3-CdS PARTICLES	20180927

PMID	Publication Date	Title	Journal
21580628	20100310	N-(2-Bromo-phen-yl)thio-urea	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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GHS Hazard Statement:	H301 (97.67%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P332+P313, P333+P313, P362, P363, P405, and P501
Signal Word:	Danger

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:	1.4