dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane

C3H10O2PS2- — CID 159583722

IUPACdimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane
SMILESC.COP(=S)([S-])OC
InChIInChI=1S/C2H7O2PS2.CH4/c1-3-5(6,7)4-2;/h1-2H3,(H,6,7);1H4/p-1
InChIKeyMJIPNVPCENGVOT-UHFFFAOYSA-M
MW173.22 g/mol
LogP1.69
Rot. Bonds2

About dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane

dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane (PubChem CID 159583722) has the molecular formula C3H10O2PS2- and a molecular weight of 173.22 g/mol. Its IUPAC name is dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane.

Molecular Properties

Compound Namedimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane
PubChem CID159583722
Molecular FormulaC3H10O2PS2-
Molecular Weight173.22 g/mol
Exact Mass172.99
IUPAC Namedimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane
SMILESC.COP(=S)([S-])OC
InChIInChI=1S/C2H7O2PS2.CH4/c1-3-5(6,7)4-2;/h1-2H3,(H,6,7);1H4/p-1
InChIKeyMJIPNVPCENGVOT-UHFFFAOYSA-M
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

O,O-dimethyl phosphorodithioate
CID 12959
Trimethyl phosphite
CID 8472
O,O,O-trimethyl phosphorothioate
CID 9038
Methyl phosphorodithioate
CID 18065
Dimethylthiophosphate
CID 3539116
Phosphorodithioic acid, O,O-dimethyl ester, sodium salt (1:1)
CID 23683120
O,O-Dimethyl P-methylphosphonothioate
CID 120320
Ammonium O,O-dimethyl dithiophosphate
CID 6451175
O,O-Dimethyl thiophosphonate
CID 6335208
Phosphorodithioic acid, O,O-dimethyl ester, potassium salt (1:1)
CID 11030732
Dimethoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 4673542
Phosphorodithioic acid, O,O-dimethyl ester, ammonium salt
CID 12878849

Frequently Asked Questions

What is the IUPAC name of dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane?
The IUPAC name of dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane (CID 159583722) is dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane.
What is the SMILES notation for dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane?
The canonical SMILES for dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane is C.COP(=S)([S-])OC.
What is the InChIKey of dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane?
The InChIKey is MJIPNVPCENGVOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7O2PS2.CH4/c1-3-5(6,7)4-2;/h1-2H3,(H,6,7);1H4/p-1.
What are the key properties of dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane?
dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane has a molecular weight of 173.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane is sourced from PubChem (CID 159583722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).