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139192-96-4 | 1-Pyrazolidinecarbothioamide, N-(4-bromophenyl)-
CAS No: 139192-96-4 Catalog No: AG001AHG MDL No:
Product Description
Catalog Number:
AG001AHG
Chemical Name:
1-Pyrazolidinecarbothioamide, N-(4-bromophenyl)-
CAS Number:
139192-96-4
Molecular Formula:
C10H12BrN3S
Molecular Weight:
286.1914
IUPAC Name:
N-(4-bromophenyl)pyrazolidine-1-carbothioamide
InChI:
InChI=1S/C10H12BrN3S/c11-8-2-4-9(5-3-8)13-10(15)14-7-1-6-12-14/h2-5,12H,1,6-7H2,(H,13,15)
InChI Key:
IIDJUBPKAZEKAG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC(=S)N1CCCN1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.191g/mol
Monoisotopic Mass:
284.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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