[(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide

C10H8Cl2N2S2 — CID 162650851

IUPAC[(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide
SMILESCS/C(=N\C#N)SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2S2/c1-15-10(14-6-13)16-5-7-2-3-8(11)4-9(7)12/h2-4H,5H2,1H3/b14-10+
InChIKeyDRUGTUOTHKKNBO-GXDHUFHOSA-N
MW291.23 g/mol
LogP4.43
Rot. Bonds2

About [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide

[(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide (PubChem CID 162650851) has the molecular formula C10H8Cl2N2S2 and a molecular weight of 291.23 g/mol. Its IUPAC name is [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide.

Molecular Properties

Compound Name[(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide
PubChem CID162650851
Molecular FormulaC10H8Cl2N2S2
Molecular Weight291.23 g/mol
Exact Mass289.95
IUPAC Name[(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide
SMILESCS/C(=N\C#N)SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2S2/c1-15-10(14-6-13)16-5-7-2-3-8(11)4-9(7)12/h2-4H,5H2,1H3/b14-10+
InChIKeyDRUGTUOTHKKNBO-GXDHUFHOSA-N
XLogP4.43
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide?
The IUPAC name of [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide (CID 162650851) is [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide.
What is the SMILES notation for [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide?
The canonical SMILES for [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide is CS/C(=N\C#N)SCc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide?
The InChIKey is DRUGTUOTHKKNBO-GXDHUFHOSA-N. The full InChI is InChI=1S/C10H8Cl2N2S2/c1-15-10(14-6-13)16-5-7-2-3-8(11)4-9(7)12/h2-4H,5H2,1H3/b14-10+.
What are the key properties of [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide?
[(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide has a molecular weight of 291.23 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dichlorophenyl)methylsulfanyl-methylsulfanylmethylidene]cyanamide is sourced from PubChem (CID 162650851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).