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162707-46-2 | Propanimidothioic acid, phenylmethyl ester, hydrochloride (1:1)
CAS No: 162707-46-2 Catalog No: AG001TCY MDL No:
Product Description
Catalog Number:
AG001TCY
Chemical Name:
Propanimidothioic acid, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
162707-46-2
Molecular Formula:
C10H14ClNS
Molecular Weight:
215.7429
IUPAC Name:
benzyl propanimidothioate;hydrochloride
InChI:
InChI=1S/C10H13NS.ClH/c1-2-10(11)12-8-9-6-4-3-5-7-9;/h3-7,11H,2,8H2,1H3;1H
InChI Key:
ODKZGSLWGFMVJV-UHFFFAOYSA-N
SMILES:
CCC(=N)SCc1ccccc1.Cl
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.739g/mol
Monoisotopic Mass:
215.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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