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102127-59-3 | Carbamodithioic acid, formylmethyl-, ethyl ester (9CI)
CAS No: 102127-59-3 Catalog No: AG0006PD MDL No:
Product Description
Catalog Number:
AG0006PD
Chemical Name:
Carbamodithioic acid, formylmethyl-, ethyl ester (9CI)
CAS Number:
102127-59-3
Molecular Formula:
C5H9NOS2
Molecular Weight:
163.2611
IUPAC Name:
ethyl N-formyl-N-methylcarbamodithioate
InChI:
InChI=1S/C5H9NOS2/c1-3-9-5(8)6(2)4-7/h4H,3H2,1-2H3
InChI Key:
AMARMQSDRABEDM-UHFFFAOYSA-N
SMILES:
CCSC(=S)NCC=O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.013g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.253g/mol
Monoisotopic Mass:
163.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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