2-bis(propylsulfanyl)phosphoryl-2-methylpropane

C10H23OPS2 — CID 23413470

IUPAC2-bis(propylsulfanyl)phosphoryl-2-methylpropane
SMILESCCCSP(=O)(SCCC)C(C)(C)C
InChIInChI=1S/C10H23OPS2/c1-6-8-13-12(11,10(3,4)5)14-9-7-2/h6-9H2,1-5H3
InChIKeyGLHMTVZCKIYDPL-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.26
Rot. Bonds6

About 2-bis(propylsulfanyl)phosphoryl-2-methylpropane

2-bis(propylsulfanyl)phosphoryl-2-methylpropane (PubChem CID 23413470) has the molecular formula C10H23OPS2 and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-bis(propylsulfanyl)phosphoryl-2-methylpropane.

Molecular Properties

Compound Name2-bis(propylsulfanyl)phosphoryl-2-methylpropane
PubChem CID23413470
Molecular FormulaC10H23OPS2
Molecular Weight254.40 g/mol
Exact Mass254.09
IUPAC Name2-bis(propylsulfanyl)phosphoryl-2-methylpropane
SMILESCCCSP(=O)(SCCC)C(C)(C)C
InChIInChI=1S/C10H23OPS2/c1-6-8-13-12(11,10(3,4)5)14-9-7-2/h6-9H2,1-5H3
InChIKeyGLHMTVZCKIYDPL-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane
CID 22226137
tris(propylsulfanyl)-selanylidene-λ5-phosphane
CID 23412993
3,3,3-trifluoro-2-methyl-2-[methyl(propylsulfanyl)phosphoryl]oxypropanenitrile
CID 54483407
2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol
CID 13048791
2-[tert-butyl(propyl)phosphoryl]-2-methylpropane
CID 546154
2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane
CID 616942
2-dipropoxyphosphoryl-2-methylpropane
CID 58435824
2-methyl-2-propylsulfanylpropan-1-ol
CID 116852243
methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
CID 21116234
1-propylsulfanylpropane-1,1,2,2-tetrol
CID 54159409
2-[propylsulfanyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane
CID 13343966
N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide
CID 88689026

Frequently Asked Questions

What is the IUPAC name of 2-bis(propylsulfanyl)phosphoryl-2-methylpropane?
The IUPAC name of 2-bis(propylsulfanyl)phosphoryl-2-methylpropane (CID 23413470) is 2-bis(propylsulfanyl)phosphoryl-2-methylpropane.
What is the SMILES notation for 2-bis(propylsulfanyl)phosphoryl-2-methylpropane?
The canonical SMILES for 2-bis(propylsulfanyl)phosphoryl-2-methylpropane is CCCSP(=O)(SCCC)C(C)(C)C.
What is the InChIKey of 2-bis(propylsulfanyl)phosphoryl-2-methylpropane?
The InChIKey is GLHMTVZCKIYDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23OPS2/c1-6-8-13-12(11,10(3,4)5)14-9-7-2/h6-9H2,1-5H3.
What are the key properties of 2-bis(propylsulfanyl)phosphoryl-2-methylpropane?
2-bis(propylsulfanyl)phosphoryl-2-methylpropane has a molecular weight of 254.40 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(propylsulfanyl)phosphoryl-2-methylpropane is sourced from PubChem (CID 23413470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).