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73338-92-8 | 2-(2-Methyl-benzyl)-isothiourea hydrochloride
CAS No: 73338-92-8 Catalog No: AG01FGXU MDL No:
Product Description
Catalog Number:
AG01FGXU
Chemical Name:
2-(2-Methyl-benzyl)-isothiourea hydrochloride
CAS Number:
73338-92-8
IUPAC Name:
(2-methylphenyl)methyl carbamimidothioate;hydrochloride
InChI:
InChI=1S/C9H12N2S.ClH/c1-7-4-2-3-5-8(7)6-12-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H
InChI Key:
LKDJRGZBAITSMY-UHFFFAOYSA-N
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
216.727g/mol
Monoisotopic Mass:
216.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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