4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran

C10H16S — CID 134945345

IUPAC4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran
SMILESC=CC1=CCSC(C(C)C)C1
InChIInChI=1S/C10H16S/c1-4-9-5-6-11-10(7-9)8(2)3/h4-5,8,10H,1,6-7H2,2-3H3
InChIKeyOHFPDSLADLSYGP-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.26
Rot. Bonds2

About 4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran

4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran (PubChem CID 134945345) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran
PubChem CID134945345
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran
SMILESC=CC1=CCSC(C(C)C)C1
InChIInChI=1S/C10H16S/c1-4-9-5-6-11-10(7-9)8(2)3/h4-5,8,10H,1,6-7H2,2-3H3
InChIKeyOHFPDSLADLSYGP-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 71727208
3-(Methylsulfanylmethyl)cyclohexene
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1-(1-Pentylsulfanylethenyl)cyclohexene
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Isobutyldithiopyrylmethan
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(E)-3-fluoro-7-methyl-5-methylidene-8-prop-2-enylsulfanyloct-3-ene
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5-[1-[(Z)-but-2-en-2-yl]sulfanylethenyl]-1-(fluoromethyl)cyclohexa-1,3-diene
CID 130391135
1-Fluoro-6-methyl-2-(propylsulfanylmethyl)cyclohexa-1,3-diene
CID 139457569
2-Fluoro-6-methyl-3,4,5a,9a-tetrahydrodibenzothiophene
CID 156578989
5-(2-Fluorocyclohex-2-en-1-yl)-3-methylidenethiophene
CID 170191373
1-(1-Fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene
CID 173055919
2H-Thiopyran, 3,6-dihydro-2,2,4-trimethyl-
CID 12282559
6-Methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 12669525

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran (CID 134945345) is 4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran is C=CC1=CCSC(C(C)C)C1.
What is the InChIKey of 4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran?
The InChIKey is OHFPDSLADLSYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-4-9-5-6-11-10(7-9)8(2)3/h4-5,8,10H,1,6-7H2,2-3H3.
What are the key properties of 4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran?
4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran has a molecular weight of 168.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-propan-2-yl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 134945345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).