2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol

C12H16OS — CID 117298054

IUPAC2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol
SMILESCC(CO)c1ccc2c(c1)SCCC2
InChIInChI=1S/C12H16OS/c1-9(8-13)11-5-4-10-3-2-6-14-12(10)7-11/h4-5,7,9,13H,2-3,6,8H2,1H3
InChIKeyIHQDWPKEKGBZAQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.82
Rot. Bonds2

About 2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol

2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol (PubChem CID 117298054) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol
PubChem CID117298054
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol
SMILESCC(CO)c1ccc2c(c1)SCCC2
InChIInChI=1S/C12H16OS/c1-9(8-13)11-5-4-10-3-2-6-14-12(10)7-11/h4-5,7,9,13H,2-3,6,8H2,1H3
InChIKeyIHQDWPKEKGBZAQ-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol?
The IUPAC name of 2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol (CID 117298054) is 2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol is CC(CO)c1ccc2c(c1)SCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol?
The InChIKey is IHQDWPKEKGBZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-9(8-13)11-5-4-10-3-2-6-14-12(10)7-11/h4-5,7,9,13H,2-3,6,8H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol?
2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol has a molecular weight of 208.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol is sourced from PubChem (CID 117298054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).