Home Halogens 4-(4-chlorophenyl)piperazine-1-carbothioamide

4-(4-chlorophenyl)piperazine-1-carbothioamide

CAS No.:
25565-73-5
Catalog Number:
AG01A9ER
Molecular Formula:
C11H14ClN3S
Molecular Weight:
255.7670
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Product Description
Catalog Number:
AG01A9ER
Chemical Name:
4-(4-chlorophenyl)piperazine-1-carbothioamide
CAS Number:
25565-73-5
Molecular Formula:
C11H14ClN3S
Molecular Weight:
255.7670
MDL Number:
MFCD11102026
IUPAC Name:
4-(4-chlorophenyl)piperazine-1-carbothioamide
InChI:
InChI=1S/C11H14ClN3S/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
InChI Key:
CRDZSEHZNBCBHU-UHFFFAOYSA-N
SMILES:
NC(=S)N1CCN(CC1)c1ccc(cc1)Cl
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.06g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.764g/mol
Monoisotopic Mass:
255.06g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties