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126651-70-5 | Carbamic acid, [(4-methyl-1-piperazinyl)thioxomethyl]-, ethyl ester (9CI)
CAS No: 126651-70-5 Catalog No: AG000T26 MDL No:
Product Description
Catalog Number:
AG000T26
Chemical Name:
Carbamic acid, [(4-methyl-1-piperazinyl)thioxomethyl]-, ethyl ester (9CI)
CAS Number:
126651-70-5
Molecular Formula:
C9H17N3O2S
Molecular Weight:
231.3152
IUPAC Name:
ethyl N-(4-methylpiperazine-1-carbothioyl)carbamate
InChI:
InChI=1S/C9H17N3O2S/c1-3-14-9(13)10-8(15)12-6-4-11(2)5-7-12/h3-7H2,1-2H3,(H,10,13,15)
InChI Key:
BYRDGJCUGSMICY-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC(=S)N1CCN(CC1)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.314g/mol
Monoisotopic Mass:
231.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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