ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol

C12H23NOS — CID 165130756

IUPACethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
SMILESCC.CCc1cc(C(C)C)ccn1.OS
InChIInChI=1S/C10H15N.C2H6.H2OS/c1-4-10-7-9(8(2)3)5-6-11-10;2*1-2/h5-8H,4H2,1-3H3;1-2H3;1-2H
InChIKeyHBYCSIOXXYAJDZ-UHFFFAOYSA-N
MW229.39 g/mol
LogP4.18
Rot. Bonds2

About ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol

ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol (PubChem CID 165130756) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol.

Molecular Properties

Compound Nameethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
PubChem CID165130756
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Nameethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
SMILESCC.CCc1cc(C(C)C)ccn1.OS
InChIInChI=1S/C10H15N.C2H6.H2OS/c1-4-10-7-9(8(2)3)5-6-11-10;2*1-2/h5-8H,4H2,1-3H3;1-2H3;1-2H
InChIKeyHBYCSIOXXYAJDZ-UHFFFAOYSA-N
XLogP4.18
TPSA33.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
CID 165130661
2-ethyl-4-(3-methylbutan-2-yl)pyridine
CID 118301752
amino-(2-ethyl-4-pyridinyl)methanethiol
CID 138599340
3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one
CID 90087197
2-(3-methylbutyl)-4-propan-2-ylpyridine
CID 59202153
2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine
CID 172607147
3-(4-propan-2-yl-2-pyridinyl)propan-1-amine
CID 115004203
2-ethyl-4-(2-methylpropyl)pyridine
CID 90794113
(4-butan-2-yl-2-pyridinyl)methanol
CID 155375839
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
CID 166491542
CID 166491542
2-ethylpyridine-4-carbonyl chloride
CID 45081393

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol?
The IUPAC name of ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol (CID 165130756) is ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol.
What is the SMILES notation for ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol?
The canonical SMILES for ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol is CC.CCc1cc(C(C)C)ccn1.OS.
What is the InChIKey of ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol?
The InChIKey is HBYCSIOXXYAJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H6.H2OS/c1-4-10-7-9(8(2)3)5-6-11-10;2*1-2/h5-8H,4H2,1-3H3;1-2H3;1-2H.
What are the key properties of ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol?
ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol has a molecular weight of 229.39 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol is sourced from PubChem (CID 165130756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).