ethane;2-(ethyldisulfanyl)-3-methylbutane

C9H22S2 — CID 169266959

IUPACethane;2-(ethyldisulfanyl)-3-methylbutane
SMILESCC.CCSSC(C)C(C)C
InChIInChI=1S/C7H16S2.C2H6/c1-5-8-9-7(4)6(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeyFUVSHCJDNPHZQR-UHFFFAOYSA-N
MW194.41 g/mol
LogP4.46
Rot. Bonds4

About ethane;2-(ethyldisulfanyl)-3-methylbutane

ethane;2-(ethyldisulfanyl)-3-methylbutane (PubChem CID 169266959) has the molecular formula C9H22S2 and a molecular weight of 194.41 g/mol. Its IUPAC name is ethane;2-(ethyldisulfanyl)-3-methylbutane.

Molecular Properties

Compound Nameethane;2-(ethyldisulfanyl)-3-methylbutane
PubChem CID169266959
Molecular FormulaC9H22S2
Molecular Weight194.41 g/mol
Exact Mass194.12
IUPAC Nameethane;2-(ethyldisulfanyl)-3-methylbutane
SMILESCC.CCSSC(C)C(C)C
InChIInChI=1S/C7H16S2.C2H6/c1-5-8-9-7(4)6(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeyFUVSHCJDNPHZQR-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Butyl disulfide
CID 12386
Di-sec-butyl disulfide
CID 94314
Methyl isopentyl disulfide
CID 534377
Diisoamyl disulfide
CID 74915
Trisulfide, dibutyl
CID 12481804
Disulfide, bis(2-methylpropyl)
CID 80284
Diisoamyl trisulfide
CID 15667721
Disulfide, (1-methylethyl) (1,1-dimethylethyl)
CID 142648
Ethyl isobutyl disulfide
CID 520981
Isopropyl isobutyl disulfide
CID 525390
2-Methyl-4,5-dithiaoctane
CID 525412
n-Butyl isopentyl disulphide
CID 537732

Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethyldisulfanyl)-3-methylbutane?
The IUPAC name of ethane;2-(ethyldisulfanyl)-3-methylbutane (CID 169266959) is ethane;2-(ethyldisulfanyl)-3-methylbutane.
What is the SMILES notation for ethane;2-(ethyldisulfanyl)-3-methylbutane?
The canonical SMILES for ethane;2-(ethyldisulfanyl)-3-methylbutane is CC.CCSSC(C)C(C)C.
What is the InChIKey of ethane;2-(ethyldisulfanyl)-3-methylbutane?
The InChIKey is FUVSHCJDNPHZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S2.C2H6/c1-5-8-9-7(4)6(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;2-(ethyldisulfanyl)-3-methylbutane?
ethane;2-(ethyldisulfanyl)-3-methylbutane has a molecular weight of 194.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethyldisulfanyl)-3-methylbutane is sourced from PubChem (CID 169266959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).