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26387-21-3 | Thiourea, N-1-piperazinyl-
CAS No: 26387-21-3 Catalog No: AG002T0C MDL No:
Product Description
Catalog Number:
AG002T0C
Chemical Name:
Thiourea, N-1-piperazinyl-
CAS Number:
26387-21-3
Molecular Formula:
C5H12N4S
Molecular Weight:
160.2406
IUPAC Name:
piperazin-1-ylthiourea
InChI:
InChI=1S/C5H12N4S/c6-5(10)8-9-3-1-7-2-4-9/h7H,1-4H2,(H3,6,8,10)
InChI Key:
TWBOKWDRJBMQEB-UHFFFAOYSA-N
SMILES:
NC(=S)NN1CCNCC1
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.078g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
160.239g/mol
Monoisotopic Mass:
160.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 1beta-methylcarbapenems having cyclic thiourea moieties and their related compounds. | European journal of medicinal chemistry 20060701 |
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