2'-methylspiro[cyclohexane-1,9'-thioxanthene]

C19H20S — CID 69166832

IUPAC2'-methylspiro[cyclohexane-1,9'-thioxanthene]
SMILESCc1ccc2c(c1)C1(CCCCC1)c1ccccc1S2
InChIInChI=1S/C19H20S/c1-14-9-10-18-16(13-14)19(11-5-2-6-12-19)15-7-3-4-8-17(15)20-18/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKeyMBQXNFYNMASXAW-UHFFFAOYSA-N
MW280.44 g/mol
LogP5.71
Rot. Bonds

About 2'-methylspiro[cyclohexane-1,9'-thioxanthene]

2'-methylspiro[cyclohexane-1,9'-thioxanthene] (PubChem CID 69166832) has the molecular formula C19H20S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2'-methylspiro[cyclohexane-1,9'-thioxanthene].

Molecular Properties

Compound Name2'-methylspiro[cyclohexane-1,9'-thioxanthene]
PubChem CID69166832
Molecular FormulaC19H20S
Molecular Weight280.44 g/mol
Exact Mass280.13
IUPAC Name2'-methylspiro[cyclohexane-1,9'-thioxanthene]
SMILESCc1ccc2c(c1)C1(CCCCC1)c1ccccc1S2
InChIInChI=1S/C19H20S/c1-14-9-10-18-16(13-14)19(11-5-2-6-12-19)15-7-3-4-8-17(15)20-18/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKeyMBQXNFYNMASXAW-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.44
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thioxanthene
CID 67495
1-Methyl-2-tritylsulfanylbenzene
CID 408597
4-Biphenylyl phenyl sulfide
CID 4387159
4-tert-Butyldiphenyl sulfide
CID 11413822
2-(4-Cyclohexyl-Benzenesulfonyl)-1,3,5-Trimethyl-Benzene
CID 71561953
Diphenyl(2,4,6-trimethylphenyl)sulfanium
CID 17834769
(4-Cyclohexylphenyl)diphenylsulfonium
CID 21863739
9H-Thioxanthene, 9,9-dimethyl-
CID 140463
Benzene, 1,1'-[2-methyl-2-(phenylthio)cyclopropylidene]bis-
CID 609923
1,3,5-Trimethyl-2-(phenylsulfanyl)benzene
CID 12386992
(Z)-9-allylidene-2-(trifluoromethyl)-9H-thioxanthene
CID 71577550
Mesityl sulfide
CID 220250

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[cyclohexane-1,9'-thioxanthene]?
The IUPAC name of 2'-methylspiro[cyclohexane-1,9'-thioxanthene] (CID 69166832) is 2'-methylspiro[cyclohexane-1,9'-thioxanthene].
What is the SMILES notation for 2'-methylspiro[cyclohexane-1,9'-thioxanthene]?
The canonical SMILES for 2'-methylspiro[cyclohexane-1,9'-thioxanthene] is Cc1ccc2c(c1)C1(CCCCC1)c1ccccc1S2.
What is the InChIKey of 2'-methylspiro[cyclohexane-1,9'-thioxanthene]?
The InChIKey is MBQXNFYNMASXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20S/c1-14-9-10-18-16(13-14)19(11-5-2-6-12-19)15-7-3-4-8-17(15)20-18/h3-4,7-10,13H,2,5-6,11-12H2,1H3.
What are the key properties of 2'-methylspiro[cyclohexane-1,9'-thioxanthene]?
2'-methylspiro[cyclohexane-1,9'-thioxanthene] has a molecular weight of 280.44 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[cyclohexane-1,9'-thioxanthene] is sourced from PubChem (CID 69166832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).