6-[(E)-2-thiophen-2-ylethenyl]-1H-pyrimidine-2-thione

Formula:C10H8N2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-thiophen-2-ylethenyl]-1H-pyrimidine-2-thione is a drug-like molecule.

MolName	6-[(E)-2-thiophen-2-ylethenyl]-1H-pyrimidine-2-thione
MolecularFormula	C10H8N2S2
Smiles	S=C1N=CC=C(/C=C/c2cccs2)N1
InChI	InChI=1S/C10H8N2S2/c13-10-11-6-5-8(12-10)3-4-9-2-1-7-14-9/h1-7H,(H,11,12,13)
InChIK	OZSGRXMKFUYAAT-UHFFFAOYSA-N
TotalMolweight	220.32
Molweight	220.32
MonoisotopicMass	220.012888
CLogP	2.3102
CLogS	-3.439
H Acceptors	2
H Donors	1
TotalSurfaceArea	175.84
Relative PSA	0.40565
PolarSurfaceArea	84.72
Druglikeness	2.7225
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.64286
Fragments	1
Non HAtoms	14
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	1
BasicNitrogens	1
StereoCon

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