ethane;2-ethyl-2-methyl-1,3-dithiolane;methane

C10H26S2 — CID 159433157

IUPACethane;2-ethyl-2-methyl-1,3-dithiolane;methane
SMILESC.C.CC.CCC1(C)SCCS1
InChIInChI=1S/C6H12S2.C2H6.2CH4/c1-3-6(2)7-4-5-8-6;1-2;;/h3-5H2,1-2H3;1-2H3;2*1H4
InChIKeyLRFWEVSNAKCRLT-UHFFFAOYSA-N
MW210.45 g/mol
LogP4.89
Rot. Bonds1

About ethane;2-ethyl-2-methyl-1,3-dithiolane;methane

ethane;2-ethyl-2-methyl-1,3-dithiolane;methane (PubChem CID 159433157) has the molecular formula C10H26S2 and a molecular weight of 210.45 g/mol. Its IUPAC name is ethane;2-ethyl-2-methyl-1,3-dithiolane;methane.

Molecular Properties

Compound Nameethane;2-ethyl-2-methyl-1,3-dithiolane;methane
PubChem CID159433157
Molecular FormulaC10H26S2
Molecular Weight210.45 g/mol
Exact Mass210.15
IUPAC Nameethane;2-ethyl-2-methyl-1,3-dithiolane;methane
SMILESC.C.CC.CCC1(C)SCCS1
InChIInChI=1S/C6H12S2.C2H6.2CH4/c1-3-6(2)7-4-5-8-6;1-2;;/h3-5H2,1-2H3;1-2H3;2*1H4
InChIKeyLRFWEVSNAKCRLT-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Diethyl-1,2,4-trithiolane
CID 520895
3,8-Dithiadecane
CID 294545
4,7-Dithiadecane
CID 294546
1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-
CID 529049
3,5-Diethyl-1,2,4-trithiolane, (Z)-
CID 6431294
2,2,4-Trimethyl-1,3-dithiolane
CID 22148
1,3-Dithiolane, 2,2-dimethyl-
CID 22332
1,3-Dithiolane, 2-ethyl-2-methyl-
CID 22333
Propyl 1-(propylthio)propyl disulfide
CID 528859
1,3-Dithiolane, 2,2-diethyl-
CID 33590
1,3-Dithiolane, 4-methyl-
CID 39655
1,3-Dithiolane, 2-methyl-2-propyl-
CID 42238

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-2-methyl-1,3-dithiolane;methane?
The IUPAC name of ethane;2-ethyl-2-methyl-1,3-dithiolane;methane (CID 159433157) is ethane;2-ethyl-2-methyl-1,3-dithiolane;methane.
What is the SMILES notation for ethane;2-ethyl-2-methyl-1,3-dithiolane;methane?
The canonical SMILES for ethane;2-ethyl-2-methyl-1,3-dithiolane;methane is C.C.CC.CCC1(C)SCCS1.
What is the InChIKey of ethane;2-ethyl-2-methyl-1,3-dithiolane;methane?
The InChIKey is LRFWEVSNAKCRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2.C2H6.2CH4/c1-3-6(2)7-4-5-8-6;1-2;;/h3-5H2,1-2H3;1-2H3;2*1H4.
What are the key properties of ethane;2-ethyl-2-methyl-1,3-dithiolane;methane?
ethane;2-ethyl-2-methyl-1,3-dithiolane;methane has a molecular weight of 210.45 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-2-methyl-1,3-dithiolane;methane is sourced from PubChem (CID 159433157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).