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324523-97-9 | 2-(4-tert-Butyl-benzyl)-isothiourea hydrochloride
CAS No: 324523-97-9 Catalog No: AG01FGYB MDL No:
Product Description
Catalog Number:
AG01FGYB
Chemical Name:
2-(4-tert-Butyl-benzyl)-isothiourea hydrochloride
CAS Number:
324523-97-9
IUPAC Name:
(4-tert-butylphenyl)methyl carbamimidothioate;hydrochloride
InChI:
InChI=1S/C12H18N2S.ClH/c1-12(2,3)10-6-4-9(5-7-10)8-15-11(13)14;/h4-7H,8H2,1-3H3,(H3,13,14);1H
InChI Key:
KLFKDVCPIMLONU-UHFFFAOYSA-N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.808g/mol
Monoisotopic Mass:
258.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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