7-methyl-1,4-dithiaspiro[4.5]decane

C9H16S2 — CID 28570

IUPAC7-methyl-1,4-dithiaspiro[4.5]decane
SMILESCC1CCCC2(C1)SCCS2
InChIInChI=1S/C9H16S2/c1-8-3-2-4-9(7-8)10-5-6-11-9/h8H,2-7H2,1H3
InChIKeyDRMWUPZSFHATQE-UHFFFAOYSA-N
MW188.36 g/mol
LogP3.37
Rot. Bonds

About 7-methyl-1,4-dithiaspiro[4.5]decane

7-methyl-1,4-dithiaspiro[4.5]decane (PubChem CID 28570) has the molecular formula C9H16S2 and a molecular weight of 188.36 g/mol. Its IUPAC name is 7-methyl-1,4-dithiaspiro[4.5]decane.

Molecular Properties

Compound Name7-methyl-1,4-dithiaspiro[4.5]decane
PubChem CID28570
Molecular FormulaC9H16S2
Molecular Weight188.36 g/mol
Exact Mass188.07
IUPAC Name7-methyl-1,4-dithiaspiro[4.5]decane
SMILESCC1CCCC2(C1)SCCS2
InChIInChI=1S/C9H16S2/c1-8-3-2-4-9(7-8)10-5-6-11-9/h8H,2-7H2,1H3
InChIKeyDRMWUPZSFHATQE-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dithiaspiro(4.5)decane, 8-methyl-
CID 38769
6-Methyl-1,4-dithiaspiro(4.5)decane
CID 35791
3-Butylthiolane
CID 568113
9-Methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
CID 12794267
1,3-Dithiolane, 2-cyclohexyl-
CID 10943244
Ethylsulfanylmethylcyclohexane
CID 13816501
3-Butyl-2-methylthiolane
CID 20520507
(6s,9r)-6-(1-Methylethyl)-9methyl-1,4-dithiaspiro[4,5]decane
CID 11107170
[Bis(ethylsulfanyl)methyl]cyclohexane
CID 12663214
(6R,9S)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
CID 101998925
2,2-Bis(methylsulfanyl)ethylcyclohexane
CID 134929828
(9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
CID 134986345

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dithiaspiro[4.5]decane?
The IUPAC name of 7-methyl-1,4-dithiaspiro[4.5]decane (CID 28570) is 7-methyl-1,4-dithiaspiro[4.5]decane.
What is the SMILES notation for 7-methyl-1,4-dithiaspiro[4.5]decane?
The canonical SMILES for 7-methyl-1,4-dithiaspiro[4.5]decane is CC1CCCC2(C1)SCCS2.
What is the InChIKey of 7-methyl-1,4-dithiaspiro[4.5]decane?
The InChIKey is DRMWUPZSFHATQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S2/c1-8-3-2-4-9(7-8)10-5-6-11-9/h8H,2-7H2,1H3.
What are the key properties of 7-methyl-1,4-dithiaspiro[4.5]decane?
7-methyl-1,4-dithiaspiro[4.5]decane has a molecular weight of 188.36 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4-dithiaspiro[4.5]decane is sourced from PubChem (CID 28570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).