200,000+ products from a single source!
sales@angenechem.com
79650-37-6 | 2(1H)-Pyrimidinethione,5,6-diamino-, hydrochloride, hydrate (1:2:2)
CAS No: 79650-37-6 Catalog No: AG005INV MDL No:
Product Description
Catalog Number:
AG005INV
Chemical Name:
2(1H)-Pyrimidinethione,5,6-diamino-, hydrochloride, hydrate (1:2:2)
CAS Number:
79650-37-6
Molecular Formula:
C4H6N4S
Molecular Weight:
142.1822
IUPAC Name:
5,6-diamino-1H-pyrimidine-2-thione;dihydrate;dihydrochloride
InChI:
InChI=1S/C4H6N4S.2ClH.2H2O/c5-2-1-7-4(9)8-3(2)6;;;;/h1H,5H2,(H3,6,7,8,9);2*1H;2*1H2
InChI Key:
SPCOFTOMOWVKAR-UHFFFAOYSA-N
SMILES:
Nc1nc(=S)[nH]cc1N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
251.126g/mol
Monoisotopic Mass:
250.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.