(methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane

C2H9O3PS3 — CID 174832404

IUPAC(methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESCSSC.OP(O)(O)=S
InChIInChI=1S/C2H6S2.H3O3PS/c1-3-4-2;1-4(2,3)5/h1-2H3;(H3,1,2,3,5)
InChIKeyAITFSFUNRICBAG-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.82
Rot. Bonds1

About (methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane

(methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane (PubChem CID 174832404) has the molecular formula C2H9O3PS3 and a molecular weight of 208.27 g/mol. Its IUPAC name is (methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Name(methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane
PubChem CID174832404
Molecular FormulaC2H9O3PS3
Molecular Weight208.27 g/mol
Exact Mass207.95
IUPAC Name(methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESCSSC.OP(O)(O)=S
InChIInChI=1S/C2H6S2.H3O3PS/c1-3-4-2;1-4(2,3)5/h1-2H3;(H3,1,2,3,5)
InChIKeyAITFSFUNRICBAG-UHFFFAOYSA-N
XLogP0.82
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-Methylphosphorodithioate
CID 14693979
Tris(methylsulfanyl) phosphite
CID 21864203
Bis(methylsulfanyl) hydrogen phosphite
CID 22325850
(Dimethyl-lambda4-sulfanylidene)-dihydroxy-sulfanyl-lambda5-phosphane
CID 57450092
(Dimethyl-lambda4-sulfanylidene)-trihydroxy-lambda5-phosphane
CID 87233442
Bis(methyldisulfanyl) hydrogen phosphite
CID 87476140
(Methyldisulfanyl) dihydrogen phosphite
CID 87476906
(Dimethyl-lambda4-sulfanylidene)-dihydroxy-sulfanyl-lambda5-phosphane;stibane
CID 173480098
Dihydroxy-bis(methylsulfanyl)phosphanium
CID 174165541
Dihydroxy-(methyldisulfanyl)-sulfanylidene-lambda5-phosphane
CID 174622404
(Dimethyl-lambda4-sulfanylidene)-dihydroxyphosphanium
CID 88650750
Dihydroxy-methyl-methylsulfanylphosphanium
CID 168246493

Frequently Asked Questions

What is the IUPAC name of (methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane?
The IUPAC name of (methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane (CID 174832404) is (methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for (methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane?
The canonical SMILES for (methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane is CSSC.OP(O)(O)=S.
What is the InChIKey of (methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane?
The InChIKey is AITFSFUNRICBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S2.H3O3PS/c1-3-4-2;1-4(2,3)5/h1-2H3;(H3,1,2,3,5).
What are the key properties of (methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane?
(methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane has a molecular weight of 208.27 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (methyldisulfanyl)methane;trihydroxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 174832404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).