(7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine

C9H16S — CID 58293733

IUPAC(7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine
SMILESCC1CCC/C=C\SC1C
InChIInChI=1S/C9H16S/c1-8-6-4-3-5-7-10-9(8)2/h5,7-9H,3-4,6H2,1-2H3/b7-5-
InChIKeyWLCLZBUQBVXUAR-ALCCZGGFSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds

About (7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine

(7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine (PubChem CID 58293733) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is (7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine.

Molecular Properties

Compound Name(7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine
PubChem CID58293733
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name(7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine
SMILESCC1CCC/C=C\SC1C
InChIInChI=1S/C9H16S/c1-8-6-4-3-5-7-10-9(8)2/h5,7-9H,3-4,6H2,1-2H3/b7-5-
InChIKeyWLCLZBUQBVXUAR-ALCCZGGFSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine?
The IUPAC name of (7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine (CID 58293733) is (7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine.
What is the SMILES notation for (7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine?
The canonical SMILES for (7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine is CC1CCC/C=C\SC1C.
What is the InChIKey of (7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine?
The InChIKey is WLCLZBUQBVXUAR-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16S/c1-8-6-4-3-5-7-10-9(8)2/h5,7-9H,3-4,6H2,1-2H3/b7-5-.
What are the key properties of (7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine?
(7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine has a molecular weight of 156.29 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine is sourced from PubChem (CID 58293733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).