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178408-13-4 | Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester (9CI)
CAS No: 178408-13-4 Catalog No: AG0025ZV MDL No:
Product Description
Catalog Number:
AG0025ZV
Chemical Name:
Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester (9CI)
CAS Number:
178408-13-4
Molecular Formula:
C10H17NO2S2
Molecular Weight:
247.3775
IUPAC Name:
ethyl N-(4,4-dimethyl-3-oxopentanoyl)carbamodithioate
InChI:
InChI=1S/C10H17NO2S2/c1-5-15-9(14)11-8(13)6-7(12)10(2,3)4/h5-6H2,1-4H3,(H,11,13,14)
InChI Key:
ZNCDQJGYVKCPMX-UHFFFAOYSA-N
SMILES:
CCSC(=S)NC(=O)CC(=O)C(C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.371g/mol
Monoisotopic Mass:
247.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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