1-methoxy-1,4-dimethylthiane

C8H18OS — CID 163420819

IUPAC1-methoxy-1,4-dimethylthiane
SMILESCOS1(C)CCC(C)CC1
InChIInChI=1S/C8H18OS/c1-8-4-6-10(3,9-2)7-5-8/h8H,4-7H2,1-3H3
InChIKeyAIHBMMDTRKMDQW-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.41
Rot. Bonds1

About 1-methoxy-1,4-dimethylthiane

1-methoxy-1,4-dimethylthiane (PubChem CID 163420819) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-methoxy-1,4-dimethylthiane.

Molecular Properties

Compound Name1-methoxy-1,4-dimethylthiane
PubChem CID163420819
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-methoxy-1,4-dimethylthiane
SMILESCOS1(C)CCC(C)CC1
InChIInChI=1S/C8H18OS/c1-8-4-6-10(3,9-2)7-5-8/h8H,4-7H2,1-3H3
InChIKeyAIHBMMDTRKMDQW-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-6λ4-thiaspiro[5.6]dodecane
CID 70985048
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1,4-dimethyl-2,2,6,6-tetratritiopiperidine
CID 58700170
methylcyclopentane
CID 7296
1,4-dimethylcyclohexane;methanol
CID 70358527
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
1-methoxy-2,6,9-trimethylcyclododecane
CID 70879863
5-methyloxathiepane 2,2-dioxide
CID 89251453
1-cyclohexyl-1,3-dimethylthiolane
CID 123388840
actinium;(4-methylcyclohexyl)azanide
CID 20752927

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,4-dimethylthiane?
The IUPAC name of 1-methoxy-1,4-dimethylthiane (CID 163420819) is 1-methoxy-1,4-dimethylthiane.
What is the SMILES notation for 1-methoxy-1,4-dimethylthiane?
The canonical SMILES for 1-methoxy-1,4-dimethylthiane is COS1(C)CCC(C)CC1.
What is the InChIKey of 1-methoxy-1,4-dimethylthiane?
The InChIKey is AIHBMMDTRKMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-8-4-6-10(3,9-2)7-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-1,4-dimethylthiane?
1-methoxy-1,4-dimethylthiane has a molecular weight of 162.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,4-dimethylthiane is sourced from PubChem (CID 163420819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).