10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol

C15H30OS2 — CID 177221877

IUPAC10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol
SMILESSCCCCCCCCCCSCC1CCCO1
InChIInChI=1S/C15H30OS2/c17-12-7-5-3-1-2-4-6-8-13-18-14-15-10-9-11-16-15/h15,17H,1-14H2
InChIKeyXHBRWEBGWVWNHP-UHFFFAOYSA-N
MW290.54 g/mol
LogP4.95
Rot. Bonds12

About 10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol

10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol (PubChem CID 177221877) has the molecular formula C15H30OS2 and a molecular weight of 290.54 g/mol. Its IUPAC name is 10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol.

Molecular Properties

Compound Name10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol
PubChem CID177221877
Molecular FormulaC15H30OS2
Molecular Weight290.54 g/mol
Exact Mass290.17
IUPAC Name10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol
SMILESSCCCCCCCCCCSCC1CCCO1
InChIInChI=1S/C15H30OS2/c17-12-7-5-3-1-2-4-6-8-13-18-14-15-10-9-11-16-15/h15,17H,1-14H2
InChIKeyXHBRWEBGWVWNHP-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine
CID 106495008
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
3-(oxolan-2-ylmethylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106495335
2-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)hexan-1-ol
CID 106497589
2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol
CID 106811202
2-(ethylamino)-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol
CID 106497569
methyl 2-methyl-2-(methylamino)-6-(oxolan-2-ylmethylsulfanyl)hexanoate
CID 106495524
2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497590
2-(cyclopropylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497539
2-(ethenylsulfanylmethyl)oxolane
CID 19076165
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143

Frequently Asked Questions

What is the IUPAC name of 10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol?
The IUPAC name of 10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol (CID 177221877) is 10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol.
What is the SMILES notation for 10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol?
The canonical SMILES for 10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol is SCCCCCCCCCCSCC1CCCO1.
What is the InChIKey of 10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol?
The InChIKey is XHBRWEBGWVWNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OS2/c17-12-7-5-3-1-2-4-6-8-13-18-14-15-10-9-11-16-15/h15,17H,1-14H2.
What are the key properties of 10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol?
10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol has a molecular weight of 290.54 g/mol, XLogP of 4.95, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol is sourced from PubChem (CID 177221877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).