1-(2,4-dichlorophenyl)-3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]thiourea

Formula:C12H8N4O2Cl2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2,4-dichlorophenyl)-3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]thiourea is a drug-like molecule.

MolName	1-(2,4-dichlorophenyl)-3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]thiourea
MolecularFormula	C12H8N4O2Cl2S2
Smiles	[O-][N+](c1ccc(/C=N\NC(Nc(ccc(Cl)c2)c2Cl)=S)s1)=O
InChI	InChI=1S/C12H8Cl2N4O2S2/c13-7-1-3-10(9(14)5-7)16-12(21)17-15-6-8-2-4-11(22-8)18(19)20/h1-6H,(H2,16,17,21)
InChIK	OCVPPRJMAXRWNW-UHFFFAOYSA-N
TotalMolweight	375.26
Molweight	375.26
MonoisotopicMass	373.94657
CLogP	3.9388
CLogS	-6.413
H Acceptors	6
H Donors	2
TotalSurfaceArea	263.86
Relative PSA	0.42905
PolarSurfaceArea	142.57
Druglikeness	-1.4222
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 1-(2,4-dichlorophenyl)-3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]thiourea | 2 - 1-(2,4-dichlorophenyl)-3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]thiourea

Request More Details | 1-(2,4-dichlorophenyl)-3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]thiourea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments