2,3-dimethyltridecane-2-thiol

C15H32S — CID 175066611

IUPAC2,3-dimethyltridecane-2-thiol
SMILESCCCCCCCCCCC(C)C(C)(C)S
InChIInChI=1S/C15H32S/c1-5-6-7-8-9-10-11-12-13-14(2)15(3,4)16/h14,16H,5-13H2,1-4H3
InChIKeyDTJPMHLSBBBOLL-UHFFFAOYSA-N
MW244.49 g/mol
LogP5.86
Rot. Bonds10

About 2,3-dimethyltridecane-2-thiol

2,3-dimethyltridecane-2-thiol (PubChem CID 175066611) has the molecular formula C15H32S and a molecular weight of 244.49 g/mol. Its IUPAC name is 2,3-dimethyltridecane-2-thiol.

Molecular Properties

Compound Name2,3-dimethyltridecane-2-thiol
PubChem CID175066611
Molecular FormulaC15H32S
Molecular Weight244.49 g/mol
Exact Mass244.22
IUPAC Name2,3-dimethyltridecane-2-thiol
SMILESCCCCCCCCCCC(C)C(C)(C)S
InChIInChI=1S/C15H32S/c1-5-6-7-8-9-10-11-12-13-14(2)15(3,4)16/h14,16H,5-13H2,1-4H3
InChIKeyDTJPMHLSBBBOLL-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.49
LogP ≤ 55.86
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

2,2,3-trimethylundecane
CID 21285055
2,3,3,4-tetramethylnonadecane
CID 174953704
2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655
2,3-dimethylhexadecan-2-amine
CID 87479269
2-iodo-2,3-dimethylnonane
CID 157257011
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
3-methylheptadecane-2,2-diamine
CID 141040528
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100
2,3-dimethylnonan-2-ylphosphane;hydroiodide
CID 173158055
2-amino-3-methylheptadecan-2-ol
CID 88695872

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyltridecane-2-thiol?
The IUPAC name of 2,3-dimethyltridecane-2-thiol (CID 175066611) is 2,3-dimethyltridecane-2-thiol.
What is the SMILES notation for 2,3-dimethyltridecane-2-thiol?
The canonical SMILES for 2,3-dimethyltridecane-2-thiol is CCCCCCCCCCC(C)C(C)(C)S.
What is the InChIKey of 2,3-dimethyltridecane-2-thiol?
The InChIKey is DTJPMHLSBBBOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32S/c1-5-6-7-8-9-10-11-12-13-14(2)15(3,4)16/h14,16H,5-13H2,1-4H3.
What are the key properties of 2,3-dimethyltridecane-2-thiol?
2,3-dimethyltridecane-2-thiol has a molecular weight of 244.49 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyltridecane-2-thiol is sourced from PubChem (CID 175066611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).