2-sulfanyldecane-1,1,1-triol

C10H22O3S — CID 150142585

IUPAC2-sulfanyldecane-1,1,1-triol
SMILESCCCCCCCCC(S)C(O)(O)O
InChIInChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9,11-14H,2-8H2,1H3
InChIKeyFDPBVTVJLUFXFA-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.67
Rot. Bonds8

About 2-sulfanyldecane-1,1,1-triol

2-sulfanyldecane-1,1,1-triol (PubChem CID 150142585) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-sulfanyldecane-1,1,1-triol.

Molecular Properties

Compound Name2-sulfanyldecane-1,1,1-triol
PubChem CID150142585
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name2-sulfanyldecane-1,1,1-triol
SMILESCCCCCCCCC(S)C(O)(O)O
InChIInChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9,11-14H,2-8H2,1H3
InChIKeyFDPBVTVJLUFXFA-UHFFFAOYSA-N
XLogP1.67
TPSA60.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyldecane-1,1,1-triol?
The IUPAC name of 2-sulfanyldecane-1,1,1-triol (CID 150142585) is 2-sulfanyldecane-1,1,1-triol.
What is the SMILES notation for 2-sulfanyldecane-1,1,1-triol?
The canonical SMILES for 2-sulfanyldecane-1,1,1-triol is CCCCCCCCC(S)C(O)(O)O.
What is the InChIKey of 2-sulfanyldecane-1,1,1-triol?
The InChIKey is FDPBVTVJLUFXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9,11-14H,2-8H2,1H3.
What are the key properties of 2-sulfanyldecane-1,1,1-triol?
2-sulfanyldecane-1,1,1-triol has a molecular weight of 222.35 g/mol, XLogP of 1.67, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyldecane-1,1,1-triol is sourced from PubChem (CID 150142585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).