(2R)-2-(9H-thioxanthen-9-yl)propan-1-ol

C16H16OS — CID 134965364

IUPAC(2R)-2-(9H-thioxanthen-9-yl)propan-1-ol
SMILESC[C@@H](CO)C1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H16OS/c1-11(10-17)16-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)16/h2-9,11,16-17H,10H2,1H3/t11-/m0/s1
InChIKeyOSZACKSFRAZYIZ-NSHDSACASA-N
MW256.37 g/mol
LogP3.91
Rot. Bonds2

About (2R)-2-(9H-thioxanthen-9-yl)propan-1-ol

(2R)-2-(9H-thioxanthen-9-yl)propan-1-ol (PubChem CID 134965364) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is (2R)-2-(9H-thioxanthen-9-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(9H-thioxanthen-9-yl)propan-1-ol
PubChem CID134965364
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name(2R)-2-(9H-thioxanthen-9-yl)propan-1-ol
SMILESC[C@@H](CO)C1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H16OS/c1-11(10-17)16-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)16/h2-9,11,16-17H,10H2,1H3/t11-/m0/s1
InChIKeyOSZACKSFRAZYIZ-NSHDSACASA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Phenyl-2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 457216
4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
6H-Dibenzo[b,d]thiopyran-6-ol
CID 13153992
9H-thioxanthen-9-ol
CID 5154170
3-Phenyl-3-(phenylthio)propan-1-ol
CID 12422970
Thiochromanol
CID 23450714
(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol
CID 19982160
3-Butyl-3-[2-[(4-fluorophenyl)methyl]-4-methylphenyl]sulfanylheptan-1-ol
CID 21333737
2-(7-fluoro-9H-thioxanthen-2-yl)propan-1-ol
CID 21518087
3-[2-(3-Fluoro-phenylsulfanyl)-phenyl]-propan-1-ol
CID 69007524
3-(3,4-dihydro-2H-thiochromen-4-yl)-1,1,1-trifluoropropan-2-ol
CID 69455245
ethane;methanol;9-(trifluoromethyl)-9H-thioxanthene
CID 142209659

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-thioxanthen-9-yl)propan-1-ol?
The IUPAC name of (2R)-2-(9H-thioxanthen-9-yl)propan-1-ol (CID 134965364) is (2R)-2-(9H-thioxanthen-9-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-(9H-thioxanthen-9-yl)propan-1-ol?
The canonical SMILES for (2R)-2-(9H-thioxanthen-9-yl)propan-1-ol is C[C@@H](CO)C1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2R)-2-(9H-thioxanthen-9-yl)propan-1-ol?
The InChIKey is OSZACKSFRAZYIZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16OS/c1-11(10-17)16-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)16/h2-9,11,16-17H,10H2,1H3/t11-/m0/s1.
What are the key properties of (2R)-2-(9H-thioxanthen-9-yl)propan-1-ol?
(2R)-2-(9H-thioxanthen-9-yl)propan-1-ol has a molecular weight of 256.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-thioxanthen-9-yl)propan-1-ol is sourced from PubChem (CID 134965364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).