chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane

C4H10ClIS2 — CID 158008232

IUPACchloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane
SMILESCSCCl.CSCI
InChIInChI=1S/C2H5ClS.C2H5IS/c2*1-4-2-3/h2*2H2,1H3
InChIKeyFEOHAPLJNNMWGR-UHFFFAOYSA-N
MW284.62 g/mol
LogP3.29
Rot. Bonds2

About chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane

chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane (PubChem CID 158008232) has the molecular formula C4H10ClIS2 and a molecular weight of 284.62 g/mol. Its IUPAC name is chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane.

Molecular Properties

Compound Namechloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane
PubChem CID158008232
Molecular FormulaC4H10ClIS2
Molecular Weight284.62 g/mol
Exact Mass283.90
IUPAC Namechloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane
SMILESCSCCl.CSCI
InChIInChI=1S/C2H5ClS.C2H5IS/c2*1-4-2-3/h2*2H2,1H3
InChIKeyFEOHAPLJNNMWGR-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.62
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane with MolForge

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

Launch Full Analysis

Related Compounds

chloro(methylsulfanyl)methane
CID 16916
chloro(methylsulfanyl)methane;trichloro(methylsulfanylmethyl)silane;trichlorosilane
CID 159846563
dichloromethane;methylsulfanylmethane;trihydrofluoride
CID 173164348
1-chloro-3-methylsulfanylpropane
CID 12690295
1,2-dichloro-4-methylsulfanylbutane
CID 174532018
boranylidyneborane;methylsulfanylmethane
CID 22038413
iodo(1,2-13C2)ethane
CID 10855737
(methyldisulfanyl)methane;nickel
CID 159414601
methoxy-methylsulfanyl-tritiomethane
CID 59294013
zinc methylsulfanylethane
CID 154630711
CID 87204437
CID 87204437
(2E)-4-(chloromethylsulfanyl)-2-[4-(chloromethylsulfanyl)-5-methylsulfanyl-1,3-diselenol-2-ylidene]-5-methylsulfanyl-1,3-diselenole
CID 11082799

Frequently Asked Questions

What is the IUPAC name of chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane?
The IUPAC name of chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane (CID 158008232) is chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane.
What is the SMILES notation for chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane?
The canonical SMILES for chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane is CSCCl.CSCI.
What is the InChIKey of chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane?
The InChIKey is FEOHAPLJNNMWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClS.C2H5IS/c2*1-4-2-3/h2*2H2,1H3.
What are the key properties of chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane?
chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane has a molecular weight of 284.62 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(methylsulfanyl)methane;iodo(methylsulfanyl)methane is sourced from PubChem (CID 158008232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).