2-[4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfanylacetonitrile

Formula:C14H10N3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfanylacetonitrile is a drug-like molecule.

MolName	2-[4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfanylacetonitrile
MolecularFormula	C14H10N3ClS
Smiles	N#CCSc1nccc(/C=C/c(cc2)ccc2Cl)n1
InChI	InChI=1S/C14H10ClN3S/c15-12-4-1-11(2-5-12)3-6-13-7-9-17-14(18-13)19-10-8-16/h1-7,9H,10H2
InChIK	JCZWEYWCCNDIFH-UHFFFAOYSA-N
TotalMolweight	287.773
Molweight	287.773
MonoisotopicMass	287.028394
CLogP	3.4253
CLogS	-4.505
H Acceptors	3
TotalSurfaceArea	225.42
Relative PSA	0.23507
PolarSurfaceArea	74.87
Druglikeness	-4.7749
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73684
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfanylacetonitrile | 2 - 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfanylacetonitrile

Request More Details | 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfanylacetonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments