200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 137581-91-0
137581-91-0 | Phosphonic acid, [3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]- (9CI)
CAS No: 137581-91-0 Catalog No: AG0013L2 MDL No:
Product Description
Catalog Number:
AG0013L2
Chemical Name:
Phosphonic acid, [3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]- (9CI)
CAS Number:
137581-91-0
Molecular Formula:
C7H7N4O3PS
Molecular Weight:
258.1942
IUPAC Name:
[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]phosphonic acid
InChI:
InChI=1S/C7H7N4O3PS/c12-15(13,14)6-3-1-2-5(4-6)11-7(16)8-9-10-11/h1-4H,(H,8,10,16)(H2,12,13,14)
InChI Key:
UEUGZCUWENGERH-UHFFFAOYSA-N
SMILES:
S=c1nn[nH]n1c1cccc(c1)P(=O)(O)O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.192g/mol
Monoisotopic Mass:
257.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.