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

C6H10OS — CID 58183495

IUPAC7-methyl-6,7-dihydro-5H-1,4-oxathiepine
SMILESCC1CCSC=CO1
InChIInChI=1S/C6H10OS/c1-6-2-4-8-5-3-7-6/h3,5-6H,2,4H2,1H3
InChIKeyUJKMMAZHTYEYKO-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds

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

7-methyl-6,7-dihydro-5H-1,4-oxathiepine (PubChem CID 58183495) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 7-methyl-6,7-dihydro-5H-1,4-oxathiepine.

Molecular Properties

Compound Name7-methyl-6,7-dihydro-5H-1,4-oxathiepine
PubChem CID58183495
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name7-methyl-6,7-dihydro-5H-1,4-oxathiepine
SMILESCC1CCSC=CO1
InChIInChI=1S/C6H10OS/c1-6-2-4-8-5-3-7-6/h3,5-6H,2,4H2,1H3
InChIKeyUJKMMAZHTYEYKO-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

(2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 58183479
6-methyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183488
2-Methyl-2,3-dihydro-1,4-oxathiine
CID 58183490
6,6-Dimethyl-5,7-dihydro-1,4-oxathiepine
CID 58183544
6,7-dihydro-5H-1,4-oxathiepine
CID 58183576
5-methyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183642
2,3-Dimethyl-2,3-dihydro-1,4-oxathiine
CID 58183658
1-Ethenylsulfanyl-3-methoxypropane
CID 59339580
8-Methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 76717874
2-(2-Ethenylsulfanylethoxy)propane
CID 117970244
2-(1-Ethenoxyethyl)thiirane
CID 176604966
6-methoxy-6,7-dihydro-5H-1,4-dithiepine
CID 12218457

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,7-dihydro-5H-1,4-oxathiepine?
The IUPAC name of 7-methyl-6,7-dihydro-5H-1,4-oxathiepine (CID 58183495) is 7-methyl-6,7-dihydro-5H-1,4-oxathiepine.
What is the SMILES notation for 7-methyl-6,7-dihydro-5H-1,4-oxathiepine?
The canonical SMILES for 7-methyl-6,7-dihydro-5H-1,4-oxathiepine is CC1CCSC=CO1.
What is the InChIKey of 7-methyl-6,7-dihydro-5H-1,4-oxathiepine?
The InChIKey is UJKMMAZHTYEYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-6-2-4-8-5-3-7-6/h3,5-6H,2,4H2,1H3.
What are the key properties of 7-methyl-6,7-dihydro-5H-1,4-oxathiepine?
7-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 7-methyl-6,7-dihydro-5H-1,4-oxathiepine is sourced from PubChem (CID 58183495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).