CID 88794374

C8H18KS — CID 88794374

IUPAC—
SMILESCCCCSCCCC.[K]
InChIInChI=1S/C8H18S.K/c1-3-5-7-9-8-6-4-2;/h3-8H2,1-2H3;
InChIKeySFMIWVMUHHESOB-UHFFFAOYSA-N
MW185.40 g/mol
LogP2.94
Rot. Bonds6

About CID 88794374

CID 88794374 (PubChem CID 88794374) has the molecular formula C8H18KS and a molecular weight of 185.40 g/mol.

Molecular Properties

Compound NameCID 88794374
PubChem CID88794374
Molecular FormulaC8H18KS
Molecular Weight185.40 g/mol
Exact Mass185.08
IUPAC Name—
SMILESCCCCSCCCC.[K]
InChIInChI=1S/C8H18S.K/c1-3-5-7-9-8-6-4-2;/h3-8H2,1-2H3;
InChIKeySFMIWVMUHHESOB-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butylsulfanylbutane;hydroiodide
CID 160789075
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
2-butylsulfanylethanethiol
CID 3613970

Frequently Asked Questions

What is the IUPAC name of CID 88794374?
The IUPAC name of CID 88794374 (CID 88794374) is not available.
What is the SMILES notation for CID 88794374?
The canonical SMILES for CID 88794374 is CCCCSCCCC.[K].
What is the InChIKey of CID 88794374?
The InChIKey is SFMIWVMUHHESOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S.K/c1-3-5-7-9-8-6-4-2;/h3-8H2,1-2H3;.
What are the key properties of CID 88794374?
CID 88794374 has a molecular weight of 185.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88794374 is sourced from PubChem (CID 88794374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).