(3,5-Dimethylphenyl)thiourea - CAS 97480-60-9

Catalog:	BB042055
Product Name:	(3,5-Dimethylphenyl)thiourea
CAS:	97480-60-9
Synonyms:	(3,5-dimethylphenyl)thiourea

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Computed Properties

IUPAC Name:	(3,5-dimethylphenyl)thiourea
Description:	(3,5-Dimethylphenyl)thiourea (CAS# 97480-60-9) is a useful research chemical.
Molecular Weight:	180.27
Molecular Formula:	C9H12N2S
Canonical SMILES:	CC1=CC(=CC(=C1)NC(=S)N)C
InChI:	InChI=1S/C9H12N2S/c1-6-3-7(2)5-8(4-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChI Key:	XOAYHDJRYDSPJZ-UHFFFAOYSA-N
Boiling Point:	293.9 °C at 760 mmHg
Density:	1.2 g/cm³
Appearance:	White to pale brown solid
MDL:	MFCD00041173
LogP:	2.73220

Publication Number	Title	Priority Date
CN-113493219-A	Tin dioxide quantum dot material, preparation method thereof and photoelectric device	20200407
WO-2021203609-A1	Tin oxide quantum dot material and preparation method therefor, and photoelectric device	20200407
WO-2021166952-A1	Method for producing polythioether compound	20200219
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

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GHS Hazard Statement:	H302 (90.91%): 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:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.07211956
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.07211956
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2