(2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine

C7H12OS — CID 58183479

IUPAC(2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESCC1CCCS/C=C\O1
InChIInChI=1S/C7H12OS/c1-7-3-2-5-9-6-4-8-7/h4,6-7H,2-3,5H2,1H3/b6-4-
InChIKeyDHZHQHWYCKAIBK-XQRVVYSFSA-N
MW144.24 g/mol
LogP2.39
Rot. Bonds

About (2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine

(2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine (PubChem CID 58183479) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine.

Molecular Properties

Compound Name(2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
PubChem CID58183479
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESCC1CCCS/C=C\O1
InChIInChI=1S/C7H12OS/c1-7-3-2-5-9-6-4-8-7/h4,6-7H,2-3,5H2,1H3/b6-4-
InChIKeyDHZHQHWYCKAIBK-XQRVVYSFSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The IUPAC name of (2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine (CID 58183479) is (2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine.
What is the SMILES notation for (2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The canonical SMILES for (2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine is CC1CCCS/C=C\O1.
What is the InChIKey of (2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The InChIKey is DHZHQHWYCKAIBK-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12OS/c1-7-3-2-5-9-6-4-8-7/h4,6-7H,2-3,5H2,1H3/b6-4-.
What are the key properties of (2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
(2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine has a molecular weight of 144.24 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine is sourced from PubChem (CID 58183479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).