chloromethane;thiocarbonyl dichloride

C2H3Cl3S — CID 175090712

IUPACchloromethane;thiocarbonyl dichloride
SMILESCCl.S=C(Cl)Cl
InChIInChI=1S/CCl2S.CH3Cl/c2-1(3)4;1-2/h;1H3
InChIKeyLFXJXFUWBCRLKZ-UHFFFAOYSA-N
MW165.47 g/mol
LogP2.60
Rot. Bonds

About chloromethane;thiocarbonyl dichloride

chloromethane;thiocarbonyl dichloride (PubChem CID 175090712) has the molecular formula C2H3Cl3S and a molecular weight of 165.47 g/mol. Its IUPAC name is chloromethane;thiocarbonyl dichloride.

Molecular Properties

Compound Namechloromethane;thiocarbonyl dichloride
PubChem CID175090712
Molecular FormulaC2H3Cl3S
Molecular Weight165.47 g/mol
Exact Mass163.90
IUPAC Namechloromethane;thiocarbonyl dichloride
SMILESCCl.S=C(Cl)Cl
InChIInChI=1S/CCl2S.CH3Cl/c2-1(3)4;1-2/h;1H3
InChIKeyLFXJXFUWBCRLKZ-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze chloromethane;thiocarbonyl dichloride 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

thiocarbonyl dichloride;hydrofluoride
CID 87355184
1,1,1-trichloropropane-2-thione
CID 139724549
hypochlorous acid
CID 161233655
CID 175192206
CID 175192206
acetonitrile;benzene;thiocarbonyl dichloride;hydrate
CID 174837993
(1-chloro-2-methyl-1-oxopropan-2-yl) ethanedithioate
CID 90981052
3-methylbutanethioyl chloride
CID 139604171
CID 102017539
CID 102017539
1,1,1-tribromopropane-2-thione
CID 139724550
2-aminoethanethioyl chloride
CID 123300294
chloromethane;silane
CID 174740640
hypochlorous acid;ruthenium(3+)
CID 159707433

Frequently Asked Questions

What is the IUPAC name of chloromethane;thiocarbonyl dichloride?
The IUPAC name of chloromethane;thiocarbonyl dichloride (CID 175090712) is chloromethane;thiocarbonyl dichloride.
What is the SMILES notation for chloromethane;thiocarbonyl dichloride?
The canonical SMILES for chloromethane;thiocarbonyl dichloride is CCl.S=C(Cl)Cl.
What is the InChIKey of chloromethane;thiocarbonyl dichloride?
The InChIKey is LFXJXFUWBCRLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl2S.CH3Cl/c2-1(3)4;1-2/h;1H3.
What are the key properties of chloromethane;thiocarbonyl dichloride?
chloromethane;thiocarbonyl dichloride has a molecular weight of 165.47 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;thiocarbonyl dichloride is sourced from PubChem (CID 175090712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).