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

C12H14OS — CID 117295221

IUPAC1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol
SMILESOC1(c2ccc3c(c2)SCCC3)CC1
InChIInChI=1S/C12H14OS/c13-12(5-6-12)10-4-3-9-2-1-7-14-11(9)8-10/h3-4,8,13H,1-2,5-7H2
InChIKeyVMZOZNKBPWKEFH-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.71
Rot. Bonds1

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

1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol (PubChem CID 117295221) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol
PubChem CID117295221
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol
SMILESOC1(c2ccc3c(c2)SCCC3)CC1
InChIInChI=1S/C12H14OS/c13-12(5-6-12)10-4-3-9-2-1-7-14-11(9)8-10/h3-4,8,13H,1-2,5-7H2
InChIKeyVMZOZNKBPWKEFH-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropyl]acetic acid
CID 117374323
3,4-dihydro-2H-thiochromen-7-ylboronic acid
CID 171485502
1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol
CID 117284718
3,4-dihydro-2H-thiochromene
CID 66971118
methyl 3,4-dihydro-2H-thiochromene-7-carboxylate
CID 130045362
2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol
CID 117298054
1-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1-carboxylic acid
CID 117443077
6,7-difluoro-3,4-dihydro-2H-thiochromene
CID 171787807
1-(3-methyl-2,3-dihydro-1H-inden-5-yl)cyclopropan-1-ol
CID 117281201
1-(2-methyl-2,3-dihydro-1H-inden-5-yl)cyclopropan-1-ol
CID 117281200
[1-(3,4-dihydro-2H-thiochromen-6-ylmethyl)cyclopropyl]methanol
CID 116928916
6-(1-hydroxycyclopropyl)-1,3-dihydroindol-2-one
CID 117281439

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol (CID 117295221) is 1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol is OC1(c2ccc3c(c2)SCCC3)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol?
The InChIKey is VMZOZNKBPWKEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c13-12(5-6-12)10-4-3-9-2-1-7-14-11(9)8-10/h3-4,8,13H,1-2,5-7H2.
What are the key properties of 1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol?
1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol has a molecular weight of 206.31 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol is sourced from PubChem (CID 117295221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).