5,6,7,8-tetrahydro-2H-thiochromene

C9H12S — CID 91132125

IUPAC5,6,7,8-tetrahydro-2H-thiochromene
SMILESC1=CC2=C(CCCC2)SC1
InChIInChI=1S/C9H12S/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5H,1-2,4,6-7H2
InChIKeyZQHPEOBGKBGIJK-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.12
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-thiochromene

5,6,7,8-tetrahydro-2H-thiochromene (PubChem CID 91132125) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-thiochromene.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-thiochromene
PubChem CID91132125
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name5,6,7,8-tetrahydro-2H-thiochromene
SMILESC1=CC2=C(CCCC2)SC1
InChIInChI=1S/C9H12S/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5H,1-2,4,6-7H2
InChIKeyZQHPEOBGKBGIJK-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,4a,5a-Hexahydrodibenzo[b,d]thiophene
CID 71357657
7-Tetrahydrobenzo[b]thiophene
CID 18315883
4aH-benzo[c]thiochromene
CID 18539628
1-(1-Pentylsulfanylethenyl)cyclohexene
CID 46909681
Cyclohexa[b]thiopyran
CID 57195514
Dihydrodibenzo[b,e]thiepin
CID 87343681
5,6-Trimethylenethiapyran
CID 129785952
1,2,3,4,4a,5a,6,7-Octahydrodibenzothiophene
CID 57370242
4-ethenyl-3,6-dihydro-2H-thiopyran
CID 101563836
4h(6h)-Cyclohexa[b]thiopyran
CID 129788028
5,6-Dihydrothiochromene
CID 129799428
Cyclohexenylthiopyran
CID 129801736

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-thiochromene?
The IUPAC name of 5,6,7,8-tetrahydro-2H-thiochromene (CID 91132125) is 5,6,7,8-tetrahydro-2H-thiochromene.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-thiochromene?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-thiochromene is C1=CC2=C(CCCC2)SC1.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-thiochromene?
The InChIKey is ZQHPEOBGKBGIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5H,1-2,4,6-7H2.
What are the key properties of 5,6,7,8-tetrahydro-2H-thiochromene?
5,6,7,8-tetrahydro-2H-thiochromene has a molecular weight of 152.26 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-thiochromene is sourced from PubChem (CID 91132125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).