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20033-60-7 | Carbonimidodithioic acid, phenyl-, ethyl methyl ester (9CI)
CAS No: 20033-60-7 Catalog No: AG002COF MDL No:
Product Description
Catalog Number:
AG002COF
Chemical Name:
Carbonimidodithioic acid, phenyl-, ethyl methyl ester (9CI)
CAS Number:
20033-60-7
Molecular Formula:
C10H13NS2
Molecular Weight:
211.3469
IUPAC Name:
1-ethylsulfanyl-1-methylsulfanyl-N-phenylmethanimine
InChI:
InChI=1S/C10H13NS2/c1-3-13-10(12-2)11-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChI Key:
VHHYZVXKUOICQW-UHFFFAOYSA-N
SMILES:
CCSC(=Nc1ccccc1)SC
NSC Number:
30056
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.341g/mol
Monoisotopic Mass:
211.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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