(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine

C9H16S — CID 58293737

IUPAC(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine
SMILESCC1CC/C=C\CSC1C
InChIInChI=1S/C9H16S/c1-8-6-4-3-5-7-10-9(8)2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-
InChIKeyRMDPOXXAKKJWOY-HYXAFXHYSA-N
MW156.29 g/mol
LogP3.09
Rot. Bonds

About (6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine

(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine (PubChem CID 58293737) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is (6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine.

Molecular Properties

Compound Name(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine
PubChem CID58293737
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine
SMILESCC1CC/C=C\CSC1C
InChIInChI=1S/C9H16S/c1-8-6-4-3-5-7-10-9(8)2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-
InChIKeyRMDPOXXAKKJWOY-HYXAFXHYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
2-(2-Fluoronona-1,5-dien-4-yl)thietane
CID 91247320
6-Methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 12669525
5-Heptan-3-yl-2,3-dihydrothiophene
CID 100984300
3-(7-Thio-4-undecenyl)tetrahydrothiophene
CID 129812798
2-Methyl-5-isopropenyl-1,3-bis-(allylthio)cyclohex-1-ene
CID 129820351
2-[2-[(1R,2Z,6Z)-cycloocta-2,6-dien-1-yl]ethyl]-1,3-dithiolane
CID 134831164
4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran
CID 134945345
(2R,3R)-2-[(E)-pent-1-enyl]-3-prop-1-en-2-ylthiane
CID 134945717
(2R,3R,6R)-3-ethenyl-2-[(E)-pent-1-enyl]-6-propan-2-ylthiane
CID 134945755

Frequently Asked Questions

What is the IUPAC name of (6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine?
The IUPAC name of (6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine (CID 58293737) is (6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine.
What is the SMILES notation for (6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine?
The canonical SMILES for (6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine is CC1CC/C=C\CSC1C.
What is the InChIKey of (6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine?
The InChIKey is RMDPOXXAKKJWOY-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H16S/c1-8-6-4-3-5-7-10-9(8)2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-.
What are the key properties of (6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine?
(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine has a molecular weight of 156.29 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine is sourced from PubChem (CID 58293737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).