(4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine

C10H13NS2 — CID 82888136

IUPAC(4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCSc1ccc2c(c1)[C@@H](N)CSC2
InChIInChI=1S/C10H13NS2/c1-12-8-3-2-7-5-13-6-10(11)9(7)4-8/h2-4,10H,5-6,11H2,1H3/t10-/m0/s1
InChIKeyWVOODADEGBVGDT-JTQLQIEISA-N
MW211.35 g/mol
LogP2.66
Rot. Bonds1

About (4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine

(4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 82888136) has the molecular formula C10H13NS2 and a molecular weight of 211.35 g/mol. Its IUPAC name is (4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name(4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID82888136
Molecular FormulaC10H13NS2
Molecular Weight211.35 g/mol
Exact Mass211.05
IUPAC Name(4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCSc1ccc2c(c1)[C@@H](N)CSC2
InChIInChI=1S/C10H13NS2/c1-12-8-3-2-7-5-13-6-10(11)9(7)4-8/h2-4,10H,5-6,11H2,1H3/t10-/m0/s1
InChIKeyWVOODADEGBVGDT-JTQLQIEISA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of (4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine (CID 82888136) is (4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for (4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for (4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine is CSc1ccc2c(c1)[C@@H](N)CSC2.
What is the InChIKey of (4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is WVOODADEGBVGDT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NS2/c1-12-8-3-2-7-5-13-6-10(11)9(7)4-8/h2-4,10H,5-6,11H2,1H3/t10-/m0/s1.
What are the key properties of (4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine?
(4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 211.35 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 82888136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).