dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane

H3Cl3O2P2S3 — CID 173308850

IUPACdihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane
SMILESOP(O)(=S)S.S=P(Cl)(Cl)Cl
InChIInChI=1S/Cl3PS.H3O2PS2/c1-4(2,3)5;1-3(2,4)5/h;(H3,1,2,4,5)
InChIKeyKTDTWYUTEPQVQX-UHFFFAOYSA-N
MW299.53 g/mol
LogP3.05
Rot. Bonds

About dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane

dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane (PubChem CID 173308850) has the molecular formula H3Cl3O2P2S3 and a molecular weight of 299.53 g/mol. Its IUPAC name is dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane
PubChem CID173308850
Molecular FormulaH3Cl3O2P2S3
Molecular Weight299.53 g/mol
Exact Mass297.78
IUPAC Namedihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane
SMILESOP(O)(=S)S.S=P(Cl)(Cl)Cl
InChIInChI=1S/Cl3PS.H3O2PS2/c1-4(2,3)5;1-3(2,4)5/h;(H3,1,2,4,5)
InChIKeyKTDTWYUTEPQVQX-UHFFFAOYSA-N
XLogP3.05
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.53
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

azane;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 175740324
azane;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 23205543
dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;phosphane;sulfane
CID 174056165
dichloro-sulfanyl-sulfanylidene-λ5-phosphane
CID 11080841
ethenyl-hydroxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 154162230
dihydroxy-[hydroxy(sulfanyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 21328842
dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid
CID 158404852
tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174914506
CID 173186715
CID 173186715
CID 173075577
CID 173075577
aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane
CID 159189351
dihydroxyphosphinothioyl thiohypochlorite
CID 150098625

Frequently Asked Questions

What is the IUPAC name of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane?
The IUPAC name of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane (CID 173308850) is dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane?
The canonical SMILES for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane is OP(O)(=S)S.S=P(Cl)(Cl)Cl.
What is the InChIKey of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane?
The InChIKey is KTDTWYUTEPQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl3PS.H3O2PS2/c1-4(2,3)5;1-3(2,4)5/h;(H3,1,2,4,5).
What are the key properties of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane?
dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane has a molecular weight of 299.53 g/mol, XLogP of 3.05, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trichloro(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 173308850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).