ethane;2-ethylbutane-1-thiol

C8H20S — CID 143165369

IUPACethane;2-ethylbutane-1-thiol
SMILESCC.CCC(CC)CS
InChIInChI=1S/C6H14S.C2H6/c1-3-6(4-2)5-7;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyFDLJIUHYJPKVCE-UHFFFAOYSA-N
MW148.31 g/mol
LogP3.38
Rot. Bonds3

About ethane;2-ethylbutane-1-thiol

ethane;2-ethylbutane-1-thiol (PubChem CID 143165369) has the molecular formula C8H20S and a molecular weight of 148.31 g/mol. Its IUPAC name is ethane;2-ethylbutane-1-thiol.

Molecular Properties

Compound Nameethane;2-ethylbutane-1-thiol
PubChem CID143165369
Molecular FormulaC8H20S
Molecular Weight148.31 g/mol
Exact Mass148.13
IUPAC Nameethane;2-ethylbutane-1-thiol
SMILESCC.CCC(CC)CS
InChIInChI=1S/C6H14S.C2H6/c1-3-6(4-2)5-7;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyFDLJIUHYJPKVCE-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.31
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-(aminomethyl)butane-1-thiol;hydrochloride
CID 155665114
2-ethylhexane-1-thiol;molybdenum
CID 88652691
2-ethyloctane-1,8-dithiol
CID 122629942
5-ethyl-2-methylheptane-1-thiol
CID 89234473
2-(butylaminomethyl)butane-1-thiol
CID 142660120
3,6-diethyloctane
CID 526424
5-ethylheptane-1-thiol
CID 141457634
2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butane-1-thiol
CID 114541064
2-[[1,2-dimethyl-2-(1,2,2-trimethylcyclopropyl)cyclopropyl]methyl]butane-1-thiol
CID 123225321
2-[2-(diethylamino)ethyl]pentane-1-thiol
CID 23362439
2-pentyloctane-1-thiol
CID 170312154
ethane;2-ethyl-N-methylbutan-1-amine
CID 143337044

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylbutane-1-thiol?
The IUPAC name of ethane;2-ethylbutane-1-thiol (CID 143165369) is ethane;2-ethylbutane-1-thiol.
What is the SMILES notation for ethane;2-ethylbutane-1-thiol?
The canonical SMILES for ethane;2-ethylbutane-1-thiol is CC.CCC(CC)CS.
What is the InChIKey of ethane;2-ethylbutane-1-thiol?
The InChIKey is FDLJIUHYJPKVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S.C2H6/c1-3-6(4-2)5-7;1-2/h6-7H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethylbutane-1-thiol?
ethane;2-ethylbutane-1-thiol has a molecular weight of 148.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylbutane-1-thiol is sourced from PubChem (CID 143165369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).