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126789-61-5 | Methanimidothioic acid, N-(phenylmethyl)-, methyl ester
CAS No: 126789-61-5 Catalog No: AG000T8F MDL No:
Product Description
Catalog Number:
AG000T8F
Chemical Name:
Methanimidothioic acid, N-(phenylmethyl)-, methyl ester
CAS Number:
126789-61-5
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
IUPAC Name:
methyl N-benzylmethanimidothioate
InChI:
InChI=1S/C9H11NS/c1-11-8-10-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
KTBMSJAVWFLCCX-UHFFFAOYSA-N
SMILES:
CSC=NCc1ccccc1
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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