6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine

C13H15NS — CID 19106993

IUPAC6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine
SMILESNC12CC=CCC1CSc1ccccc12
InChIInChI=1S/C13H15NS/c14-13-8-4-3-5-10(13)9-15-12-7-2-1-6-11(12)13/h1-4,6-7,10H,5,8-9,14H2
InChIKeyQUSCJDATKVIXRL-UHFFFAOYSA-N
MW217.34 g/mol
LogP2.91
Rot. Bonds

About 6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine

6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine (PubChem CID 19106993) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine.

Molecular Properties

Compound Name6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine
PubChem CID19106993
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine
SMILESNC12CC=CCC1CSc1ccccc12
InChIInChI=1S/C13H15NS/c14-13-8-4-3-5-10(13)9-15-12-7-2-1-6-11(12)13/h1-4,6-7,10H,5,8-9,14H2
InChIKeyQUSCJDATKVIXRL-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine?
The IUPAC name of 6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine (CID 19106993) is 6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine.
What is the SMILES notation for 6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine?
The canonical SMILES for 6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine is NC12CC=CCC1CSc1ccccc12.
What is the InChIKey of 6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine?
The InChIKey is QUSCJDATKVIXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c14-13-8-4-3-5-10(13)9-15-12-7-2-1-6-11(12)13/h1-4,6-7,10H,5,8-9,14H2.
What are the key properties of 6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine?
6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine has a molecular weight of 217.34 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine is sourced from PubChem (CID 19106993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).