(2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan

C14H18OS — CID 101222026

IUPAC(2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan
SMILESC[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1SC2(C)C
InChIInChI=1S/C14H18OS/c1-9-8-11-13(15-9)10-6-4-5-7-12(10)16-14(11,2)3/h4-7,9,11,13H,8H2,1-3H3/t9-,11-,13+/m1/s1
InChIKeyNFAYKIKMNHVWOY-XWIASGKRSA-N
MW234.36 g/mol
LogP4.04
Rot. Bonds

About (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan

(2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan (PubChem CID 101222026) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan.

Molecular Properties

Compound Name(2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan
PubChem CID101222026
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name(2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan
SMILESC[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1SC2(C)C
InChIInChI=1S/C14H18OS/c1-9-8-11-13(15-9)10-6-4-5-7-12(10)16-14(11,2)3/h4-7,9,11,13H,8H2,1-3H3/t9-,11-,13+/m1/s1
InChIKeyNFAYKIKMNHVWOY-XWIASGKRSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan with MolForge

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Related Compounds

(2R,5S)-3-(1,3-benzodithiol-2-yloxy)-2,5-dimethyloxolane
CID 88980091
(2S,3R)-2-methyl-3H-1-benzothiophene-2,3-diol
CID 56950484
(3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine
CID 177471247
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
(4aR,9bR)-4a-methyl-1,3,4,9b-tetrahydro-[1]benzothiolo[3,2-b]pyridin-2-one
CID 59542260
2-(2,4-dimethyl-3-oxido-4H-1,3-benzothiazin-2-yl)phenol
CID 88643076
(4aR,9bR)-4a-methyl-2,3,4,9b-tetrahydro-1H-[1]benzothiolo[3,2-b]pyridine
CID 59542445
(2S,4aS,10bS)-7-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
CID 110145797
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
4,6-dimethylspiro[1,3-dioxane-2,11'-5b,6,7,8,9,11a-hexahydro-5aH-[1]benzothiolo[2,3-a]indolizine]
CID 58649413
1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine
CID 143183648

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan?
The IUPAC name of (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan (CID 101222026) is (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan.
What is the SMILES notation for (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan?
The canonical SMILES for (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan is C[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1SC2(C)C.
What is the InChIKey of (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan?
The InChIKey is NFAYKIKMNHVWOY-XWIASGKRSA-N. The full InChI is InChI=1S/C14H18OS/c1-9-8-11-13(15-9)10-6-4-5-7-12(10)16-14(11,2)3/h4-7,9,11,13H,8H2,1-3H3/t9-,11-,13+/m1/s1.
What are the key properties of (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan?
(2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan has a molecular weight of 234.36 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan is sourced from PubChem (CID 101222026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).