7-ethylpentadecane-1-thiol

C17H36S — CID 57129147

IUPAC7-ethylpentadecane-1-thiol
SMILESCCCCCCCCC(CC)CCCCCCS
InChIInChI=1S/C17H36S/c1-3-5-6-7-8-11-14-17(4-2)15-12-9-10-13-16-18/h17-18H,3-16H2,1-2H3
InChIKeyKNCAFHQZZNBNTF-UHFFFAOYSA-N
MW272.54 g/mol
LogP6.64
Rot. Bonds14

About 7-ethylpentadecane-1-thiol

7-ethylpentadecane-1-thiol (PubChem CID 57129147) has the molecular formula C17H36S and a molecular weight of 272.54 g/mol. Its IUPAC name is 7-ethylpentadecane-1-thiol.

Molecular Properties

Compound Name7-ethylpentadecane-1-thiol
PubChem CID57129147
Molecular FormulaC17H36S
Molecular Weight272.54 g/mol
Exact Mass272.25
IUPAC Name7-ethylpentadecane-1-thiol
SMILESCCCCCCCCC(CC)CCCCCCS
InChIInChI=1S/C17H36S/c1-3-5-6-7-8-11-14-17(4-2)15-12-9-10-13-16-18/h17-18H,3-16H2,1-2H3
InChIKeyKNCAFHQZZNBNTF-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.54
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

6-ethyltetradecane-1-thiol
CID 57128537
4-ethyldecane-1-thiol
CID 87200065
5-pentyldodecane-1-thiol
CID 57231870
5-butyltetradecane-1-thiol
CID 57296634
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
5-ethylheptane-1-thiol
CID 141457634
7-ethyltridecane;methane
CID 158982306
2-ethyloctane-1,8-dithiol
CID 122629942
4-ethylhexadecane
CID 528433

Frequently Asked Questions

What is the IUPAC name of 7-ethylpentadecane-1-thiol?
The IUPAC name of 7-ethylpentadecane-1-thiol (CID 57129147) is 7-ethylpentadecane-1-thiol.
What is the SMILES notation for 7-ethylpentadecane-1-thiol?
The canonical SMILES for 7-ethylpentadecane-1-thiol is CCCCCCCCC(CC)CCCCCCS.
What is the InChIKey of 7-ethylpentadecane-1-thiol?
The InChIKey is KNCAFHQZZNBNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36S/c1-3-5-6-7-8-11-14-17(4-2)15-12-9-10-13-16-18/h17-18H,3-16H2,1-2H3.
What are the key properties of 7-ethylpentadecane-1-thiol?
7-ethylpentadecane-1-thiol has a molecular weight of 272.54 g/mol, XLogP of 6.64, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylpentadecane-1-thiol is sourced from PubChem (CID 57129147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).