2-ethyl-2,3-dimethylpentane-1-thiol

C9H20S — CID 123266767

IUPAC2-ethyl-2,3-dimethylpentane-1-thiol
SMILESCCC(C)C(C)(CC)CS
InChIInChI=1S/C9H20S/c1-5-8(3)9(4,6-2)7-10/h8,10H,5-7H2,1-4H3
InChIKeyPEFUTPUZBOGONU-UHFFFAOYSA-N
MW160.33 g/mol
LogP3.38
Rot. Bonds4

About 2-ethyl-2,3-dimethylpentane-1-thiol

2-ethyl-2,3-dimethylpentane-1-thiol (PubChem CID 123266767) has the molecular formula C9H20S and a molecular weight of 160.33 g/mol. Its IUPAC name is 2-ethyl-2,3-dimethylpentane-1-thiol.

Molecular Properties

Compound Name2-ethyl-2,3-dimethylpentane-1-thiol
PubChem CID123266767
Molecular FormulaC9H20S
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Name2-ethyl-2,3-dimethylpentane-1-thiol
SMILESCCC(C)C(C)(CC)CS
InChIInChI=1S/C9H20S/c1-5-8(3)9(4,6-2)7-10/h8,10H,5-7H2,1-4H3
InChIKeyPEFUTPUZBOGONU-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylpentane-2-thiol
CID 90985123
3-ethyl-3,4-dimethylhexan-1-ol
CID 139931255
1-ethoxy-3-ethyl-3,4-dimethylhexane
CID 90857890
6-ethyl-2,6,7-trimethylnon-2-ene
CID 123408225
3-fluoro-3,4-dimethylhexane
CID 153400772
2-butoxy-5-ethyl-2,5,6-trimethyloctane
CID 91518034
3,4-diethyl-4,5-dimethylheptane
CID 57491367
3-ethyl-2-hydroperoxy-3-methylpentane
CID 90139339
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
6-ethyl-3,5,6-trimethyloct-2-ene
CID 91251673
3-ethyl-3,4,6,7,8-pentamethyldecane
CID 123231235
2-ethyl-2,3-dimethylbutane-1,4-diol
CID 57175682

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dimethylpentane-1-thiol?
The IUPAC name of 2-ethyl-2,3-dimethylpentane-1-thiol (CID 123266767) is 2-ethyl-2,3-dimethylpentane-1-thiol.
What is the SMILES notation for 2-ethyl-2,3-dimethylpentane-1-thiol?
The canonical SMILES for 2-ethyl-2,3-dimethylpentane-1-thiol is CCC(C)C(C)(CC)CS.
What is the InChIKey of 2-ethyl-2,3-dimethylpentane-1-thiol?
The InChIKey is PEFUTPUZBOGONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S/c1-5-8(3)9(4,6-2)7-10/h8,10H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-2,3-dimethylpentane-1-thiol?
2-ethyl-2,3-dimethylpentane-1-thiol has a molecular weight of 160.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dimethylpentane-1-thiol is sourced from PubChem (CID 123266767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).