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21004-30-8

21004-30-8 | Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5,6-dihydro-3-methyl-

CAS No: 21004-30-8 Catalog No: AG002KK1 MDL No:

Product Description

Catalog Number:
AG002KK1
Chemical Name:
Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5,6-dihydro-3-methyl-
CAS Number:
21004-30-8
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
IUPAC Name:
3-methyl-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C7H8N2O2S/c1-9-6(10)4-2-3-12-5(4)8-7(9)11/h2-3H2,1H3,(H,8,11)
InChI Key:
AQUZHSLZJCZNJE-UHFFFAOYSA-N
SMILES:
Cn1c(=O)[nH]c2c(c1=O)CCS2
NSC Number:
120300

Properties

Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.213g/mol
Monoisotopic Mass:
184.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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