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20950-84-9 | Carbamodithioic acid, N-(2-aminoethyl)-
CAS No: 20950-84-9 Catalog No: AG002K9D MDL No:MFCD00085527
Product Description
Catalog Number:
AG002K9D
Chemical Name:
Carbamodithioic acid, N-(2-aminoethyl)-
CAS Number:
20950-84-9
Molecular Formula:
C3H8N2S2
Molecular Weight:
136.2390
MDL Number:
MFCD00085527
IUPAC Name:
2-aminoethylcarbamodithioic acid
InChI:
InChI=1S/C3H8N2S2/c4-1-2-5-3(6)7/h1-2,4H2,(H2,5,6,7)
InChI Key:
NJGRNRAXMBFJJY-UHFFFAOYSA-N
SMILES:
NCCNC(=S)S
UNII:
925876PZ8X
NSC Number:
83224
Properties
Complexity:
64
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.013g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
136.231g/mol
Monoisotopic Mass:
136.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Analysis of 4-methyl-piperazine-1-carbodithioic acid 3-cyano-3,3-diphenyl-propyl ester hydrochloride and its major metabolites in rat plasma and tissues by LC-MS/MS. | Journal of separation science 20070801 |
| Studies on the metabolism of 4-methylpiperazine-1-carbodithioc acid 3-cyano-3,3- diphenylpropyl ester hydrochloride in rat bile by high-performance liquid chromatography/electrospray ionization tandem mass spectrometry. | Rapid communications in mass spectrometry : RCM 20070101 |
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