200,000+ products from a single source!
sales@angenechem.com
156589-90-1 | 2-Propenethioamide, 3-(2-chloro-5-nitrophenyl)-, (2E)-
CAS No: 156589-90-1 Catalog No: AG001OTT MDL No:
Product Description
Catalog Number:
AG001OTT
Chemical Name:
2-Propenethioamide, 3-(2-chloro-5-nitrophenyl)-, (2E)-
CAS Number:
156589-90-1
Molecular Formula:
C9H7ClN2O2S
Molecular Weight:
242.6821
IUPAC Name:
3-(2-chloro-5-nitrophenyl)prop-2-enethioamide
InChI:
InChI=1S/C9H7ClN2O2S/c10-8-3-2-7(12(13)14)5-6(8)1-4-9(11)15/h1-5H,(H2,11,15)
InChI Key:
ORNQDKYUNNNTLY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(/C=C/C(=S)N)c(cc1)Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.677g/mol
Monoisotopic Mass:
241.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.