5-methyl-6,7-dihydro-5H-1,4-oxathiepine

C6H10OS — CID 58183642

IUPAC5-methyl-6,7-dihydro-5H-1,4-oxathiepine
SMILESCC1CCOC=CS1
InChIInChI=1S/C6H10OS/c1-6-2-3-7-4-5-8-6/h4-6H,2-3H2,1H3
InChIKeyAAASETNSPADSDY-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds

About 5-methyl-6,7-dihydro-5H-1,4-oxathiepine

5-methyl-6,7-dihydro-5H-1,4-oxathiepine (PubChem CID 58183642) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-5H-1,4-oxathiepine.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-5H-1,4-oxathiepine
PubChem CID58183642
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name5-methyl-6,7-dihydro-5H-1,4-oxathiepine
SMILESCC1CCOC=CS1
InChIInChI=1S/C6H10OS/c1-6-2-3-7-4-5-8-6/h4-6H,2-3H2,1H3
InChIKeyAAASETNSPADSDY-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfide, methylvinyloxyethyl-
CID 81083
(E)-1-Ethoxy-2-(ethylthio)ethene
CID 5463286
3-Methyl-2,3-dihydro-1,4-oxathiine
CID 58183442
1-Ethoxy-2-ethylthioethene
CID 143081
6-methyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183488
7-methyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183495
6,6-Dimethyl-5,7-dihydro-1,4-oxathiepine
CID 58183544
6,7-dihydro-5H-1,4-oxathiepine
CID 58183576
(2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 58183637
(2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 58183646
1-Ethenylsulfanyl-3-methoxypropane
CID 59339580
1-Ethenylsulfanyl-4-methoxybutane
CID 59339606

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-5H-1,4-oxathiepine?
The IUPAC name of 5-methyl-6,7-dihydro-5H-1,4-oxathiepine (CID 58183642) is 5-methyl-6,7-dihydro-5H-1,4-oxathiepine.
What is the SMILES notation for 5-methyl-6,7-dihydro-5H-1,4-oxathiepine?
The canonical SMILES for 5-methyl-6,7-dihydro-5H-1,4-oxathiepine is CC1CCOC=CS1.
What is the InChIKey of 5-methyl-6,7-dihydro-5H-1,4-oxathiepine?
The InChIKey is AAASETNSPADSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-6-2-3-7-4-5-8-6/h4-6H,2-3H2,1H3.
What are the key properties of 5-methyl-6,7-dihydro-5H-1,4-oxathiepine?
5-methyl-6,7-dihydro-5H-1,4-oxathiepine has a molecular weight of 130.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-5H-1,4-oxathiepine is sourced from PubChem (CID 58183642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).