6-ethyl-3,4-dihydro-2H-thiochromen-3-amine

C11H15NS — CID 82401614

IUPAC6-ethyl-3,4-dihydro-2H-thiochromen-3-amine
SMILESCCc1ccc2c(c1)CC(N)CS2
InChIInChI=1S/C11H15NS/c1-2-8-3-4-11-9(5-8)6-10(12)7-13-11/h3-5,10H,2,6-7,12H2,1H3
InChIKeyYPFUTYDEVBEEBB-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.22
Rot. Bonds1

About 6-ethyl-3,4-dihydro-2H-thiochromen-3-amine

6-ethyl-3,4-dihydro-2H-thiochromen-3-amine (PubChem CID 82401614) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 6-ethyl-3,4-dihydro-2H-thiochromen-3-amine.

Molecular Properties

Compound Name6-ethyl-3,4-dihydro-2H-thiochromen-3-amine
PubChem CID82401614
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name6-ethyl-3,4-dihydro-2H-thiochromen-3-amine
SMILESCCc1ccc2c(c1)CC(N)CS2
InChIInChI=1S/C11H15NS/c1-2-8-3-4-11-9(5-8)6-10(12)7-13-11/h3-5,10H,2,6-7,12H2,1H3
InChIKeyYPFUTYDEVBEEBB-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,4-dihydro-2H-thiochromen-3-amine?
The IUPAC name of 6-ethyl-3,4-dihydro-2H-thiochromen-3-amine (CID 82401614) is 6-ethyl-3,4-dihydro-2H-thiochromen-3-amine.
What is the SMILES notation for 6-ethyl-3,4-dihydro-2H-thiochromen-3-amine?
The canonical SMILES for 6-ethyl-3,4-dihydro-2H-thiochromen-3-amine is CCc1ccc2c(c1)CC(N)CS2.
What is the InChIKey of 6-ethyl-3,4-dihydro-2H-thiochromen-3-amine?
The InChIKey is YPFUTYDEVBEEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-8-3-4-11-9(5-8)6-10(12)7-13-11/h3-5,10H,2,6-7,12H2,1H3.
What are the key properties of 6-ethyl-3,4-dihydro-2H-thiochromen-3-amine?
6-ethyl-3,4-dihydro-2H-thiochromen-3-amine has a molecular weight of 193.31 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,4-dihydro-2H-thiochromen-3-amine is sourced from PubChem (CID 82401614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).