chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride

C6H12Cl2O6P2S2 — CID 173433140

IUPACchlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
SMILESCl.Clc1ccccc1.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C6H5Cl.ClH.2H3O3PS/c7-6-4-2-1-3-5-6;;2*1-4(2,3)5/h1-5H;1H;2*(H3,1,2,3,5)
InChIKeyVJJQNNAYJORSIA-UHFFFAOYSA-N
MW377.14 g/mol
LogP1.14
Rot. Bonds

About chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride

chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride (PubChem CID 173433140) has the molecular formula C6H12Cl2O6P2S2 and a molecular weight of 377.14 g/mol. Its IUPAC name is chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride.

Molecular Properties

Compound Namechlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
PubChem CID173433140
Molecular FormulaC6H12Cl2O6P2S2
Molecular Weight377.14 g/mol
Exact Mass375.89
IUPAC Namechlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
SMILESCl.Clc1ccccc1.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C6H5Cl.ClH.2H3O3PS/c7-6-4-2-1-3-5-6;;2*1-4(2,3)5/h1-5H;1H;2*(H3,1,2,3,5)
InChIKeyVJJQNNAYJORSIA-UHFFFAOYSA-N
XLogP1.14
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.14
LogP ≤ 51.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);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 chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride?
The IUPAC name of chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride (CID 173433140) is chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride.
What is the SMILES notation for chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride?
The canonical SMILES for chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride is Cl.Clc1ccccc1.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride?
The InChIKey is VJJQNNAYJORSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.ClH.2H3O3PS/c7-6-4-2-1-3-5-6;;2*1-4(2,3)5/h1-5H;1H;2*(H3,1,2,3,5).
What are the key properties of chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride?
chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride has a molecular weight of 377.14 g/mol, XLogP of 1.14, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride is sourced from PubChem (CID 173433140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).