(3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene

C15H20S — CID 102370773

IUPAC(3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene
SMILESCc1ccc2c(c1)SC[C@]1(C)CCC[C@]21C
InChIInChI=1S/C15H20S/c1-11-5-6-12-13(9-11)16-10-14(2)7-4-8-15(12,14)3/h5-6,9H,4,7-8,10H2,1-3H3/t14-,15+/m0/s1
InChIKeyHVWHUGRWAKPABA-LSDHHAIUSA-N
MW232.39 g/mol
LogP4.55
Rot. Bonds

About (3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene

(3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene (PubChem CID 102370773) has the molecular formula C15H20S and a molecular weight of 232.39 g/mol. Its IUPAC name is (3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene.

Molecular Properties

Compound Name(3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene
PubChem CID102370773
Molecular FormulaC15H20S
Molecular Weight232.39 g/mol
Exact Mass232.13
IUPAC Name(3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene
SMILESCc1ccc2c(c1)SC[C@]1(C)CCC[C@]21C
InChIInChI=1S/C15H20S/c1-11-5-6-12-13(9-11)16-10-14(2)7-4-8-15(12,14)3/h5-6,9H,4,7-8,10H2,1-3H3/t14-,15+/m0/s1
InChIKeyHVWHUGRWAKPABA-LSDHHAIUSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde
CID 101223313
2-(4-hydroxy-7-methyl-2,3-dihydrothiochromen-4-yl)acetic acid
CID 83912379
6-methyl-2,3-dihydro-1,4-benzodithiine
CID 11789864
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
(3S)-3,7-dimethyl-3-(4-methylphenyl)-2H-thiochromen-4-one
CID 59079081
3,3,8-trimethyl-1,2,4,5-tetrahydro-1-benzazepine
CID 84719436
2'-methylspiro[cyclohexane-1,9'-thioxanthene]
CID 69166832
ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]
CID 143517020
7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
CID 115097143
1-(2,5-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79863052
(4aR,10aS)-4a,10a-dimethyl-2,3,4,10-tetrahydro-1H-phenanthren-9-one
CID 94034647

Frequently Asked Questions

What is the IUPAC name of (3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene?
The IUPAC name of (3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene (CID 102370773) is (3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene.
What is the SMILES notation for (3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene?
The canonical SMILES for (3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene is Cc1ccc2c(c1)SC[C@]1(C)CCC[C@]21C.
What is the InChIKey of (3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene?
The InChIKey is HVWHUGRWAKPABA-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H20S/c1-11-5-6-12-13(9-11)16-10-14(2)7-4-8-15(12,14)3/h5-6,9H,4,7-8,10H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene?
(3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene has a molecular weight of 232.39 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene is sourced from PubChem (CID 102370773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).