1-ethylsulfanyl-2-methylpropane-2-thiol

C6H14S2 — CID 10749357

IUPAC1-ethylsulfanyl-2-methylpropane-2-thiol
SMILESCCSCC(C)(C)S
InChIInChI=1S/C6H14S2/c1-4-8-5-6(2,3)7/h7H,4-5H2,1-3H3
InChIKeyQIMBNZRVBGMTMB-UHFFFAOYSA-N
MW150.31 g/mol
LogP2.45
Rot. Bonds3

About 1-ethylsulfanyl-2-methylpropane-2-thiol

1-ethylsulfanyl-2-methylpropane-2-thiol (PubChem CID 10749357) has the molecular formula C6H14S2 and a molecular weight of 150.31 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-methylpropane-2-thiol.

Molecular Properties

Compound Name1-ethylsulfanyl-2-methylpropane-2-thiol
PubChem CID10749357
Molecular FormulaC6H14S2
Molecular Weight150.31 g/mol
Exact Mass150.05
IUPAC Name1-ethylsulfanyl-2-methylpropane-2-thiol
SMILESCCSCC(C)(C)S
InChIInChI=1S/C6H14S2/c1-4-8-5-6(2,3)7/h7H,4-5H2,1-3H3
InChIKeyQIMBNZRVBGMTMB-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-methylpropane-2-thiol?
The IUPAC name of 1-ethylsulfanyl-2-methylpropane-2-thiol (CID 10749357) is 1-ethylsulfanyl-2-methylpropane-2-thiol.
What is the SMILES notation for 1-ethylsulfanyl-2-methylpropane-2-thiol?
The canonical SMILES for 1-ethylsulfanyl-2-methylpropane-2-thiol is CCSCC(C)(C)S.
What is the InChIKey of 1-ethylsulfanyl-2-methylpropane-2-thiol?
The InChIKey is QIMBNZRVBGMTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2/c1-4-8-5-6(2,3)7/h7H,4-5H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-2-methylpropane-2-thiol?
1-ethylsulfanyl-2-methylpropane-2-thiol has a molecular weight of 150.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-methylpropane-2-thiol is sourced from PubChem (CID 10749357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).