2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine

C13H19NS — CID 79413950

IUPAC2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc(C)c2c1SC(C)C(C)C2N
InChIInChI=1S/C13H19NS/c1-7-5-6-8(2)13-11(7)12(14)9(3)10(4)15-13/h5-6,9-10,12H,14H2,1-4H3
InChIKeyMPHPRISGSUMHSB-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.43
Rot. Bonds

About 2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine

2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 79413950) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID79413950
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc(C)c2c1SC(C)C(C)C2N
InChIInChI=1S/C13H19NS/c1-7-5-6-8(2)13-11(7)12(14)9(3)10(4)15-13/h5-6,9-10,12H,14H2,1-4H3
InChIKeyMPHPRISGSUMHSB-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine (CID 79413950) is 2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine is Cc1ccc(C)c2c1SC(C)C(C)C2N.
What is the InChIKey of 2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is MPHPRISGSUMHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-7-5-6-8(2)13-11(7)12(14)9(3)10(4)15-13/h5-6,9-10,12H,14H2,1-4H3.
What are the key properties of 2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine?
2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 221.37 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 79413950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).