methanedithione;phosphane

CH3PS2 — CID 159871512

IUPACmethanedithione;phosphane
SMILESP.S=C=S
InChIInChI=1S/CS2.H3P/c2-1-3;/h;1H3
InChIKeyROTVUSTWTVPMJA-UHFFFAOYSA-N
MW110.14 g/mol
LogP1.08
Rot. Bonds

About methanedithione;phosphane

methanedithione;phosphane (PubChem CID 159871512) has the molecular formula CH3PS2 and a molecular weight of 110.14 g/mol. Its IUPAC name is methanedithione;phosphane.

Molecular Properties

Compound Namemethanedithione;phosphane
PubChem CID159871512
Molecular FormulaCH3PS2
Molecular Weight110.14 g/mol
Exact Mass109.94
IUPAC Namemethanedithione;phosphane
SMILESP.S=C=S
InChIInChI=1S/CS2.H3P/c2-1-3;/h;1H3
InChIKeyROTVUSTWTVPMJA-UHFFFAOYSA-N
XLogP1.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173323825

Frequently Asked Questions

What is the IUPAC name of methanedithione;phosphane?
The IUPAC name of methanedithione;phosphane (CID 159871512) is methanedithione;phosphane.
What is the SMILES notation for methanedithione;phosphane?
The canonical SMILES for methanedithione;phosphane is P.S=C=S.
What is the InChIKey of methanedithione;phosphane?
The InChIKey is ROTVUSTWTVPMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/CS2.H3P/c2-1-3;/h;1H3.
What are the key properties of methanedithione;phosphane?
methanedithione;phosphane has a molecular weight of 110.14 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanedithione;phosphane is sourced from PubChem (CID 159871512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).