3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid

C10H11NO2S — CID 22269631

IUPAC3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid
SMILESO=C(O)Nc1ccc2c(c1)CCSC2
InChIInChI=1S/C10H11NO2S/c12-10(13)11-9-2-1-8-6-14-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2,(H,12,13)
InChIKeyIKUSAUXERZGSQS-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.57
Rot. Bonds1

About 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid

3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid (PubChem CID 22269631) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid.

Molecular Properties

Compound Name3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid
PubChem CID22269631
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid
SMILESO=C(O)Nc1ccc2c(c1)CCSC2
InChIInChI=1S/C10H11NO2S/c12-10(13)11-9-2-1-8-6-14-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2,(H,12,13)
InChIKeyIKUSAUXERZGSQS-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-tert-butyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamic acid
CID 121375550
(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)carbamic acid
CID 135386697
2,3-dihydro-1H-inden-5-ylcarbamic acid;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 87138556
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
[3,4-bis(trifluoromethyl)phenyl]carbamic acid
CID 91432072
1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095213
2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid
CID 62638284
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid?
The IUPAC name of 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid (CID 22269631) is 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid.
What is the SMILES notation for 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid?
The canonical SMILES for 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid is O=C(O)Nc1ccc2c(c1)CCSC2.
What is the InChIKey of 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid?
The InChIKey is IKUSAUXERZGSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-10(13)11-9-2-1-8-6-14-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2,(H,12,13).
What are the key properties of 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid?
3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid has a molecular weight of 209.27 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isothiochromen-6-ylcarbamic acid is sourced from PubChem (CID 22269631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).