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18161-96-1 | Hydrazinecarbothioamide, 2-[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)ethylidene]-
CAS No: 18161-96-1 Catalog No: AG0022YI MDL No:
Product Description
Catalog Number:
AG0022YI
Chemical Name:
Hydrazinecarbothioamide, 2-[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)ethylidene]-
CAS Number:
18161-96-1
Molecular Formula:
C7H9N5O2S
Molecular Weight:
227.2437
IUPAC Name:
[2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea
InChI:
InChI=1S/C7H9N5O2S/c8-6(15)11-9-2-4-12-3-1-5(13)10-7(12)14/h1-3H,4H2,(H3,8,11,15)(H,10,13,14)
InChI Key:
FTVLTWYIRYOAMD-UHFFFAOYSA-N
SMILES:
NC(=S)NN=CCn1ccc(=O)[nH]c1=O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.242g/mol
Monoisotopic Mass:
227.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.4
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