(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine

C10H13NS — CID 51885336

IUPAC(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc2c(c1)[C@H](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/t9-/m1/s1
InChIKeyTZWIMFKGHRPBNI-SECBINFHSA-N
MW179.29 g/mol
LogP2.49
Rot. Bonds

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

(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 51885336) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID51885336
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc2c(c1)[C@H](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/t9-/m1/s1
InChIKeyTZWIMFKGHRPBNI-SECBINFHSA-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 (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine (CID 51885336) is (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine is Cc1ccc2c(c1)[C@H](N)CCS2.
What is the InChIKey of (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is TZWIMFKGHRPBNI-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine?
(4R)-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 (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 51885336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).