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18879-98-6 | Carbamodithioic acid, N-ethyl-
CAS No: 18879-98-6 Catalog No: AG002HBK MDL No:
Product Description
Catalog Number:
AG002HBK
Chemical Name:
Carbamodithioic acid, N-ethyl-
CAS Number:
18879-98-6
Molecular Formula:
C3H7NS2
Molecular Weight:
121.2244
IUPAC Name:
ethylcarbamodithioic acid
InChI:
InChI=1S/C3H7NS2/c1-2-4-3(5)6/h2H2,1H3,(H2,4,5,6)
InChI Key:
MIHRVCSSMAGKNH-UHFFFAOYSA-N
SMILES:
CCNC(=S)S
Properties
Complexity:
52.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.002g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
121.216g/mol
Monoisotopic Mass:
121.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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