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1016764-07-0 | 4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
CAS No: 1016764-07-0 Catalog No: AG01AAMR MDL No:MFCD09811650
Product Description
Catalog Number:
AG01AAMR
Chemical Name:
4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
CAS Number:
1016764-07-0
Molecular Formula:
C8H12N4S2
Molecular Weight:
228.3377
MDL Number:
MFCD09811650
IUPAC Name:
4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
InChI:
InChI=1S/C8H12N4S2/c9-7(13)11-2-4-12(5-3-11)8-10-1-6-14-8/h1,6H,2-5H2,(H2,9,13)
InChI Key:
KJCDPAIWJCPEJF-UHFFFAOYSA-N
SMILES:
NC(=S)N1CCN(CC1)c1nccs1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.332g/mol
Monoisotopic Mass:
228.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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