35-sulfanylpentatriacontan-1-ol

C35H72OS — CID 87682399

IUPAC35-sulfanylpentatriacontan-1-ol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C35H72OS/c36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37/h36-37H,1-35H2
InChIKeyDCDOBCKRCSMWPI-UHFFFAOYSA-N
MW541.03 g/mol
LogP12.78
Rot. Bonds34

About 35-sulfanylpentatriacontan-1-ol

35-sulfanylpentatriacontan-1-ol (PubChem CID 87682399) has the molecular formula C35H72OS and a molecular weight of 541.03 g/mol. Its IUPAC name is 35-sulfanylpentatriacontan-1-ol.

Molecular Properties

Compound Name35-sulfanylpentatriacontan-1-ol
PubChem CID87682399
Molecular FormulaC35H72OS
Molecular Weight541.03 g/mol
Exact Mass540.53
IUPAC Name35-sulfanylpentatriacontan-1-ol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C35H72OS/c36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37/h36-37H,1-35H2
InChIKeyDCDOBCKRCSMWPI-UHFFFAOYSA-N
XLogP12.78
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.03
LogP ≤ 512.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

9-sulfanylnonan-1-ol
CID 46201499
25-sulfanylpentacosan-1-ol
CID 87683418
ethanol;11-sulfanylundecan-1-ol
CID 175180301
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
octatriacontane-1,38-dithiol
CID 154319638
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tetracosane-1,24-dithiol
CID 87293915

Frequently Asked Questions

What is the IUPAC name of 35-sulfanylpentatriacontan-1-ol?
The IUPAC name of 35-sulfanylpentatriacontan-1-ol (CID 87682399) is 35-sulfanylpentatriacontan-1-ol.
What is the SMILES notation for 35-sulfanylpentatriacontan-1-ol?
The canonical SMILES for 35-sulfanylpentatriacontan-1-ol is OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS.
What is the InChIKey of 35-sulfanylpentatriacontan-1-ol?
The InChIKey is DCDOBCKRCSMWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72OS/c36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37/h36-37H,1-35H2.
What are the key properties of 35-sulfanylpentatriacontan-1-ol?
35-sulfanylpentatriacontan-1-ol has a molecular weight of 541.03 g/mol, XLogP of 12.78, 34 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 35-sulfanylpentatriacontan-1-ol is sourced from PubChem (CID 87682399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).