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

C10H13NS — CID 43155198

IUPAC6-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc2c(c1)C(N)CCS2
InChIInChI=1S/C10H13NS/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9H,4-5,11H2,1H3
InChIKeyTZWIMFKGHRPBNI-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.49
Rot. Bonds

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

6-methyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43155198) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43155198
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name6-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc2c(c1)C(N)CCS2
InChIInChI=1S/C10H13NS/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9H,4-5,11H2,1H3
InChIKeyTZWIMFKGHRPBNI-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-methyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43155198) is 6-methyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-thiochromen-4-amine is Cc1ccc2c(c1)C(N)CCS2.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is TZWIMFKGHRPBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9H,4-5,11H2,1H3.
What are the key properties of 6-methyl-3,4-dihydro-2H-thiochromen-4-amine?
6-methyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 179.29 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43155198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).