thiocarbonyl dichloride;hydrochloride

CHCl3S — CID 172812051

IUPACthiocarbonyl dichloride;hydrochloride
SMILESCl.S=C(Cl)Cl
InChIInChI=1S/CCl2S.ClH/c2-1(3)4;/h;1H
InChIKeySHRUAHXHOKLGHS-UHFFFAOYSA-N
MW151.44 g/mol
LogP2.17
Rot. Bonds

About thiocarbonyl dichloride;hydrochloride

thiocarbonyl dichloride;hydrochloride (PubChem CID 172812051) has the molecular formula CHCl3S and a molecular weight of 151.44 g/mol. Its IUPAC name is thiocarbonyl dichloride;hydrochloride.

Molecular Properties

Compound Namethiocarbonyl dichloride;hydrochloride
PubChem CID172812051
Molecular FormulaCHCl3S
Molecular Weight151.44 g/mol
Exact Mass149.89
IUPAC Namethiocarbonyl dichloride;hydrochloride
SMILESCl.S=C(Cl)Cl
InChIInChI=1S/CCl2S.ClH/c2-1(3)4;/h;1H
InChIKeySHRUAHXHOKLGHS-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze thiocarbonyl dichloride;hydrochloride 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 thiocarbonyl dichloride;hydrochloride?
The IUPAC name of thiocarbonyl dichloride;hydrochloride (CID 172812051) is thiocarbonyl dichloride;hydrochloride.
What is the SMILES notation for thiocarbonyl dichloride;hydrochloride?
The canonical SMILES for thiocarbonyl dichloride;hydrochloride is Cl.S=C(Cl)Cl.
What is the InChIKey of thiocarbonyl dichloride;hydrochloride?
The InChIKey is SHRUAHXHOKLGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl2S.ClH/c2-1(3)4;/h;1H.
What are the key properties of thiocarbonyl dichloride;hydrochloride?
thiocarbonyl dichloride;hydrochloride has a molecular weight of 151.44 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiocarbonyl dichloride;hydrochloride is sourced from PubChem (CID 172812051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).