3-methylisothiochromen-3-amine

C10H11NS — CID 143769334

IUPAC3-methylisothiochromen-3-amine
SMILESCC1(N)C=c2ccccc2=CS1
InChIInChI=1S/C10H11NS/c1-10(11)6-8-4-2-3-5-9(8)7-12-10/h2-7H,11H2,1H3
InChIKeyZFJWHBOVEYPTRF-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.63
Rot. Bonds

About 3-methylisothiochromen-3-amine

3-methylisothiochromen-3-amine (PubChem CID 143769334) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-methylisothiochromen-3-amine.

Molecular Properties

Compound Name3-methylisothiochromen-3-amine
PubChem CID143769334
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name3-methylisothiochromen-3-amine
SMILESCC1(N)C=c2ccccc2=CS1
InChIInChI=1S/C10H11NS/c1-10(11)6-8-4-2-3-5-9(8)7-12-10/h2-7H,11H2,1H3
InChIKeyZFJWHBOVEYPTRF-UHFFFAOYSA-N
XLogP0.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylisothiochromen-3-amine?
The IUPAC name of 3-methylisothiochromen-3-amine (CID 143769334) is 3-methylisothiochromen-3-amine.
What is the SMILES notation for 3-methylisothiochromen-3-amine?
The canonical SMILES for 3-methylisothiochromen-3-amine is CC1(N)C=c2ccccc2=CS1.
What is the InChIKey of 3-methylisothiochromen-3-amine?
The InChIKey is ZFJWHBOVEYPTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-10(11)6-8-4-2-3-5-9(8)7-12-10/h2-7H,11H2,1H3.
What are the key properties of 3-methylisothiochromen-3-amine?
3-methylisothiochromen-3-amine has a molecular weight of 177.27 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylisothiochromen-3-amine is sourced from PubChem (CID 143769334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).