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116178-06-4 | 1,3(2H,4H)-Pyrimidinedicarbothioamide, N1-ethyldihydro-N3-methyl-
CAS No: 116178-06-4 Catalog No: AG000BTQ MDL No:
Product Description
Catalog Number:
AG000BTQ
Chemical Name:
1,3(2H,4H)-Pyrimidinedicarbothioamide, N1-ethyldihydro-N3-methyl-
CAS Number:
116178-06-4
Molecular Formula:
C9H18N4S2
Molecular Weight:
246.3960
IUPAC Name:
1-N-ethyl-3-N-methyl-1,3-diazinane-1,3-dicarbothioamide
InChI:
InChI=1S/C9H18N4S2/c1-3-11-9(15)13-6-4-5-12(7-13)8(14)10-2/h3-7H2,1-2H3,(H,10,14)(H,11,15)
InChI Key:
AROLZKXBBKMTSN-UHFFFAOYSA-N
SMILES:
CCNC(=S)N1CCCN(C1)C(=S)NC
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.391g/mol
Monoisotopic Mass:
246.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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