Home Other Building Blocks 2-(Methylthio)-7H-purine-6,8-diol

2-(Methylthio)-7H-purine-6,8-diol

CAS No.:
14443-37-9
Catalog Number:
AG001JIR
Molecular Formula:
C6H6N4O2S
Molecular Weight:
198.2024
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$106
- +
5g
1 week
United States
$312
- +
10g
1 week
United States
$523
- +
Product Description
Catalog Number:
AG001JIR
Chemical Name:
2-(Methylthio)-7H-purine-6,8-diol
CAS Number:
14443-37-9
Molecular Formula:
C6H6N4O2S
Molecular Weight:
198.2024
MDL Number:
MFCD00022637
IUPAC Name:
2-methylsulfanyl-7,9-dihydro-1H-purine-6,8-dione
InChI:
InChI=1S/C6H6N4O2S/c1-13-6-9-3-2(4(11)10-6)7-5(12)8-3/h1H3,(H3,7,8,9,10,11,12)
InChI Key:
ABNKHLJAVYVWBF-UHFFFAOYSA-N
SMILES:
CSc1[nH]c(=O)c2c(n1)[nH]c(=O)[nH]2
NSC Number:
22740
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.021g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
198.2g/mol
Monoisotopic Mass:
198.021g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties