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114141-76-3 | 1(2H)-Pyrimidinecarbothioamide, tetrahydro-N-2-propen-1-yl-2-thioxo-
CAS No: 114141-76-3 Catalog No: AG000ANV MDL No:
Product Description
Catalog Number:
AG000ANV
Chemical Name:
1(2H)-Pyrimidinecarbothioamide, tetrahydro-N-2-propen-1-yl-2-thioxo-
CAS Number:
114141-76-3
Molecular Formula:
C8H13N3S2
Molecular Weight:
215.3389
IUPAC Name:
N-prop-2-enyl-2-sulfanylidene-1,3-diazinane-1-carbothioamide
InChI:
InChI=1S/C8H13N3S2/c1-2-4-9-7(12)11-6-3-5-10-8(11)13/h2H,1,3-6H2,(H,9,12)(H,10,13)
InChI Key:
YCVKUNJWGJAISU-UHFFFAOYSA-N
SMILES:
C=CCNC(=S)N1CCCNC1=S
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.333g/mol
Monoisotopic Mass:
215.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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