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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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).