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

C5H8OS — CID 58183576

IUPAC6,7-dihydro-5H-1,4-oxathiepine
SMILESC1=CSCCCO1
InChIInChI=1S/C5H8OS/c1-2-6-3-5-7-4-1/h3,5H,1-2,4H2
InChIKeyHSMPZKKSOGRIDL-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.61
Rot. Bonds

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

6,7-dihydro-5H-1,4-oxathiepine (PubChem CID 58183576) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 6,7-dihydro-5H-1,4-oxathiepine.

Molecular Properties

Compound Name6,7-dihydro-5H-1,4-oxathiepine
PubChem CID58183576
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name6,7-dihydro-5H-1,4-oxathiepine
SMILESC1=CSCCCO1
InChIInChI=1S/C5H8OS/c1-2-6-3-5-7-4-1/h3,5H,1-2,4H2
InChIKeyHSMPZKKSOGRIDL-UHFFFAOYSA-N
XLogP1.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.61
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
2-(Ethenoxymethyl)thiirane
CID 11643927
((2-(Ethenyloxy)ethyl)thio)ethene
CID 13149756
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
(2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 58183637
5-methyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183642
1-Ethenoxy-2-ethylsulfanylethane;rutherfordium
CID 59029822

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-1,4-oxathiepine?
The IUPAC name of 6,7-dihydro-5H-1,4-oxathiepine (CID 58183576) is 6,7-dihydro-5H-1,4-oxathiepine.
What is the SMILES notation for 6,7-dihydro-5H-1,4-oxathiepine?
The canonical SMILES for 6,7-dihydro-5H-1,4-oxathiepine is C1=CSCCCO1.
What is the InChIKey of 6,7-dihydro-5H-1,4-oxathiepine?
The InChIKey is HSMPZKKSOGRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-2-6-3-5-7-4-1/h3,5H,1-2,4H2.
What are the key properties of 6,7-dihydro-5H-1,4-oxathiepine?
6,7-dihydro-5H-1,4-oxathiepine has a molecular weight of 116.18 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-1,4-oxathiepine is sourced from PubChem (CID 58183576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).