1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-[(3R)-1,1-dioxothiolan-3-yl]thiourea

Formula:C12H13N3O2Cl2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-[(3R)-1,1-dioxothiolan-3-yl]thiourea is a drug-like molecule.

MolName	1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-[(3R)-1,1-dioxothiolan-3-yl]thiourea
MolecularFormula	C12H13N3O2Cl2S2
Smiles	O=S(CC1)(C[C@@H]1NC(N/N=C\c(cc1)cc(Cl)c1Cl)=S)=O
InChI	InChI=1S/C12H13Cl2N3O2S2/c13-10-2-1-8(5-11(10)14)6-15-17-12(20)16-9-3-4-21(18,19)7-9/h1-2,5-6,9H,3-4,7H2,(H2,16,17,20)/t9-/m1/s1
InChIK	HJMBIOQFNYONCM-SECBINFHSA-N
TotalMolweight	366.292
Molweight	366.292
MonoisotopicMass	364.982621
CLogP	2.4592
CLogS	-4.83
H Acceptors	5
H Donors	2
TotalSurfaceArea	253.35
Relative PSA	0.35923
PolarSurfaceArea	111.03
Druglikeness	0.12245
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	1
StereoCon	this enantiomer

Click to Load Molecule:

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

Request More Details | 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-[(3R)-1,1-dioxothiolan-3-yl]thiourea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments