(3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane]

C14H18OS — CID 138984166

IUPAC(3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane]
SMILESCC1(C)CC[C@]2(CSc3ccccc3C2)O1
InChIInChI=1S/C14H18OS/c1-13(2)7-8-14(15-13)9-11-5-3-4-6-12(11)16-10-14/h3-6H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyLPUWYKNOJOGMEG-AWEZNQCLSA-N
MW234.36 g/mol
LogP3.66
Rot. Bonds

About (3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane]

(3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane] (PubChem CID 138984166) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is (3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane].

Molecular Properties

Compound Name(3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane]
PubChem CID138984166
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name(3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane]
SMILESCC1(C)CC[C@]2(CSc3ccccc3C2)O1
InChIInChI=1S/C14H18OS/c1-13(2)7-8-14(15-13)9-11-5-3-4-6-12(11)16-10-14/h3-6H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyLPUWYKNOJOGMEG-AWEZNQCLSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methyl)thiochroman-4-ol
CID 68342681
2,4,4-Trimethyl-3,1-benzoxathiine
CID 15201138
(1R,2R,5R)-1,5-diethyl-3-methylidene-2-phenylsulfanyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 102367653
7-Methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene
CID 102529815
(1R,2R,5R)-3-methylidene-2-phenylsulfanyl-1,5-dipropyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 176428908
(2S,3R,4S)-2,4-dimethyl-2-(3-methylbutyl)-3-phenylsulfanyloxolane
CID 10660269
(2R,3R,4R)-2,4-dimethyl-2-(3-methylbutyl)-3-phenylsulfanyloxolane
CID 14120611
2,2-Dimethyl-4-phenylsulfanyl-1-oxa-8-thiaspiro[4.5]decane
CID 21592620
2-Methoxy-2,3-dihydro-1-benzothiophene
CID 12454696
(2,3-Dimethyl-2,4-dihydrothiochromen-3-yl) carbamate
CID 21654710
2-[5-[2-(4-Methylpentyl)phenyl]sulfanylpentyl]oxane
CID 23326566
2-[9-(2-Hexylphenyl)sulfanylnonyl]oxane
CID 23326597

Frequently Asked Questions

What is the IUPAC name of (3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane]?
The IUPAC name of (3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane] (CID 138984166) is (3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane].
What is the SMILES notation for (3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane]?
The canonical SMILES for (3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane] is CC1(C)CC[C@]2(CSc3ccccc3C2)O1.
What is the InChIKey of (3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane]?
The InChIKey is LPUWYKNOJOGMEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18OS/c1-13(2)7-8-14(15-13)9-11-5-3-4-6-12(11)16-10-14/h3-6H,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane]?
(3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane] has a molecular weight of 234.36 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane] is sourced from PubChem (CID 138984166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).