N-Benzyl-N-methylthiourea - CAS 53393-11-6

Catalog:	BB028192
Product Name:	N-Benzyl-N-methylthiourea
CAS:	53393-11-6
Synonyms:	1-benzyl-1-methylthiourea

Technical Data

Patents

Computed Properties

IUPAC Name:	1-benzyl-1-methylthiourea
Description:	N-Benzyl-N-methylthiourea (CAS# 53393-11-6) is a useful research chemical.
Molecular Weight:	180.27
Molecular Formula:	C9H12N2S
Canonical SMILES:	CN(CC1=CC=CC=C1)C(=S)N
InChI:	InChI=1S/C9H12N2S/c1-11(9(10)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12)
InChI Key:	VGECWZHYDMFANY-UHFFFAOYSA-N
Boiling Point:	300.7 °C at 760 mmHg
Density:	1.165 g/cm³
MDL:	MFCD09055276
LogP:	2.06230

Publication Number	Title	Priority Date
CN-105755480-A	Efficient acidic cleaner	20160517
AU-2666599-A	Heteroaryl amidines, methylamidines and guanidines as protease inhibitors, in particular as urokinase inhibitors	19980209
AU-765072-B2	Heteroaryl amidines, methylamidines and guanidines as protease inhibitors, in particular as urokinase inhibitors	19980209
JP-2002502852-A	Heteroarylamidines, methylamidines and guanidines as protease inhibitors, especially urokinase inhibitors	19980209
EP-0854723-A1	Substituted pyrazolyl benzenesulfonamides for use in veterinary therapies as antiinflammatory agents	19950929

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Related Functional Groups

Sulfur Compounds

[6633-90-5]
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[85-47-2]
1-Naphthalenesulfonic acid
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[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[1879-16-9]
4-Methoxythioanisole
[21124-33-4]
Ammonium diethyldithiocarbamate

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Complexity:	153
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.07211956
Rotatable Bond Count:	2
Topological Polar Surface Area:	61.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2