7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol

C17H36S7 — CID 175417967

IUPAC7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol
SMILESSCCCCC(S)CC(CS)C(S)C(CS)CC(S)CCCCS
InChIInChI=1S/C17H36S7/c18-7-3-1-5-15(22)9-13(11-20)17(24)14(12-21)10-16(23)6-2-4-8-19/h13-24H,1-12H2
InChIKeyIKOLAYKRPNANEO-UHFFFAOYSA-N
MW464.94 g/mol
LogP5.95
Rot. Bonds16

About 7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol

7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol (PubChem CID 175417967) has the molecular formula C17H36S7 and a molecular weight of 464.94 g/mol. Its IUPAC name is 7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol.

Molecular Properties

Compound Name7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol
PubChem CID175417967
Molecular FormulaC17H36S7
Molecular Weight464.94 g/mol
Exact Mass464.09
IUPAC Name7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol
SMILESSCCCCC(S)CC(CS)C(S)C(CS)CC(S)CCCCS
InChIInChI=1S/C17H36S7/c18-7-3-1-5-15(22)9-13(11-20)17(24)14(12-21)10-16(23)6-2-4-8-19/h13-24H,1-12H2
InChIKeyIKOLAYKRPNANEO-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500464.94
LogP ≤ 55.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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

5,9-bis(sulfanylmethyl)tridecane-1,4,7,10,13-pentathiol
CID 175084958
pentane-1,2,5-trithiol
CID 87093666
(4R,11S)-4,11-bis(sulfanylmethyl)tetradecane-3,6,9,12-tetrathiol
CID 141367685
undecane-1,4,8,11-tetrathiol
CID 57041789
nonane-1,2,3,4,5,9-hexathiol
CID 57193124
8-[2,8-bis(sulfanyl)octoxy]octane-1,7-dithiol
CID 21488227
tetratriacontane-1,17-dithiol
CID 57207387
(7R,12S)-7,12-bis(sulfanylmethyl)octadecane-3,6,9,10,13,16-hexathiol
CID 141367683
2,5-bis(sulfanyl)pentan-1-ol
CID 90911589
1-aminopentane-1,5-dithiol;hydroiodide
CID 175503451
nonane-1,8-dithiol
CID 151049978
1-aminopentane-1,5-dithiol;hydrochloride
CID 175503443

Frequently Asked Questions

What is the IUPAC name of 7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol?
The IUPAC name of 7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol (CID 175417967) is 7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol.
What is the SMILES notation for 7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol?
The canonical SMILES for 7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol is SCCCCC(S)CC(CS)C(S)C(CS)CC(S)CCCCS.
What is the InChIKey of 7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol?
The InChIKey is IKOLAYKRPNANEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36S7/c18-7-3-1-5-15(22)9-13(11-20)17(24)14(12-21)10-16(23)6-2-4-8-19/h13-24H,1-12H2.
What are the key properties of 7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol?
7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol has a molecular weight of 464.94 g/mol, XLogP of 5.95, 16 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol is sourced from PubChem (CID 175417967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).