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77296-62-9 | Thiourea, N-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-
CAS No: 77296-62-9 Catalog No: AG005CZX MDL No:
Product Description
Catalog Number:
AG005CZX
Chemical Name:
Thiourea, N-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-
CAS Number:
77296-62-9
Molecular Formula:
C5H6N4O2S
Molecular Weight:
186.1917
IUPAC Name:
(2,4-dioxo-1H-pyrimidin-5-yl)thiourea
InChI:
InChI=1S/C5H6N4O2S/c6-4(12)8-2-1-7-5(11)9-3(2)10/h1H,(H3,6,8,12)(H2,7,9,10,11)
InChI Key:
CMVWPPSVWXBZRL-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1c[nH]c(=O)[nH]c1=O
NSC Number:
99323
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.021g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
186.189g/mol
Monoisotopic Mass:
186.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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