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

C6H10OS — CID 58183632

IUPAC2-methyl-6,7-dihydro-5H-1,4-oxathiepine
SMILESCC1=CSCCCO1
InChIInChI=1S/C6H10OS/c1-6-5-8-4-2-3-7-6/h5H,2-4H2,1H3
InChIKeyULKNSOCQVFWXKL-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds

About 2-methyl-6,7-dihydro-5H-1,4-oxathiepine

2-methyl-6,7-dihydro-5H-1,4-oxathiepine (PubChem CID 58183632) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-1,4-oxathiepine.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-1,4-oxathiepine
PubChem CID58183632
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-methyl-6,7-dihydro-5H-1,4-oxathiepine
SMILESCC1=CSCCCO1
InChIInChI=1S/C6H10OS/c1-6-5-8-4-2-3-7-6/h5H,2-4H2,1H3
InChIKeyULKNSOCQVFWXKL-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

2-Methyl-5,6-dihydro-1,4-oxathiine
CID 253768
6-Ethyl-2,3-dihydro-1,4-oxathiine
CID 14168417
2,3,6-Trimethyl-2,3-dihydro-1,4-oxathiine
CID 58183481
3-methyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183487
3,6-Dimethyl-2,3-dihydro-1,4-oxathiine
CID 58183536
2,3-dimethyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183651
2-Methoxyprop-2-enyl(dimethyl)sulfanium
CID 59553922
2-Ethoxy-3-propan-2-ylsulfanylprop-1-ene
CID 88234605
2-(2-Methylsulfanylethoxy)prop-1-ene
CID 117828130
1-Prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane
CID 142050813
Ethane;6-methyl-2,3-dihydro-1,4-oxathiine
CID 177148088
(E)-2-ethoxy-1-ethylsulfanylprop-1-ene
CID 21600409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-1,4-oxathiepine?
The IUPAC name of 2-methyl-6,7-dihydro-5H-1,4-oxathiepine (CID 58183632) is 2-methyl-6,7-dihydro-5H-1,4-oxathiepine.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-1,4-oxathiepine?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-1,4-oxathiepine is CC1=CSCCCO1.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-1,4-oxathiepine?
The InChIKey is ULKNSOCQVFWXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-6-5-8-4-2-3-7-6/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-6,7-dihydro-5H-1,4-oxathiepine?
2-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 2-methyl-6,7-dihydro-5H-1,4-oxathiepine is sourced from PubChem (CID 58183632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).