4H-thiochromen-4-amine

C9H9NS — CID 22725329

IUPAC4H-thiochromen-4-amine
SMILESNC1C=CSc2ccccc21
InChIInChI=1S/C9H9NS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6,8H,10H2
InChIKeyFIDWICCKCOCLMS-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.31
Rot. Bonds

About 4H-thiochromen-4-amine

4H-thiochromen-4-amine (PubChem CID 22725329) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 4H-thiochromen-4-amine.

Molecular Properties

Compound Name4H-thiochromen-4-amine
PubChem CID22725329
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name4H-thiochromen-4-amine
SMILESNC1C=CSc2ccccc21
InChIInChI=1S/C9H9NS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6,8H,10H2
InChIKeyFIDWICCKCOCLMS-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-thiochromen-4-amine?
The IUPAC name of 4H-thiochromen-4-amine (CID 22725329) is 4H-thiochromen-4-amine.
What is the SMILES notation for 4H-thiochromen-4-amine?
The canonical SMILES for 4H-thiochromen-4-amine is NC1C=CSc2ccccc21.
What is the InChIKey of 4H-thiochromen-4-amine?
The InChIKey is FIDWICCKCOCLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6,8H,10H2.
What are the key properties of 4H-thiochromen-4-amine?
4H-thiochromen-4-amine has a molecular weight of 163.25 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thiochromen-4-amine is sourced from PubChem (CID 22725329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).