200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 166879-79-4
166879-79-4 | 3-Pyrazolidinethione, 1-(phenylmethyl)-
CAS No: 166879-79-4 Catalog No: AG001WZA MDL No:
Product Description
Catalog Number:
AG001WZA
Chemical Name:
3-Pyrazolidinethione, 1-(phenylmethyl)-
CAS Number:
166879-79-4
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
IUPAC Name:
1-benzylpyrazolidine-3-thione
InChI:
InChI=1S/C10H12N2S/c13-10-6-7-12(11-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChI Key:
LQVOSVMNQINPKM-UHFFFAOYSA-N
SMILES:
S=C1CCN(N1)Cc1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.