200,000+ products from a single source!
sales@angenechem.com
856844-77-4 | 1-Piperazinecarboxylicacid, 4-(aminothioxomethyl)-, phenylmethyl ester
CAS No: 856844-77-4 Catalog No: AG004PRH MDL No:MFCD11977357
Product Description
Catalog Number:
AG004PRH
Chemical Name:
1-Piperazinecarboxylicacid, 4-(aminothioxomethyl)-, phenylmethyl ester
CAS Number:
856844-77-4
Molecular Formula:
C13H17N3O2S
Molecular Weight:
279.3580
MDL Number:
MFCD11977357
IUPAC Name:
benzyl 4-carbamothioylpiperazine-1-carboxylate
InChI:
InChI=1S/C13H17N3O2S/c14-12(19)15-6-8-16(9-7-15)13(17)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,19)
InChI Key:
NXESMWCTIBCSIG-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=S)N)OCc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.358g/mol
Monoisotopic Mass:
279.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.