3,4-dihydro-2H-chromen-3-amine;2H-thiochromene

C18H19NOS — CID 66789459

IUPAC3,4-dihydro-2H-chromen-3-amine;2H-thiochromene
SMILESC1=Cc2ccccc2SC1.NC1COc2ccccc2C1
InChIInChI=1S/C9H11NO.C9H8S/c10-8-5-7-3-1-2-4-9(7)11-6-8;1-2-6-9-8(4-1)5-3-7-10-9/h1-4,8H,5-6,10H2;1-6H,7H2
InChIKeyLEZCIINSPNJXMY-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.75
Rot. Bonds

About 3,4-dihydro-2H-chromen-3-amine;2H-thiochromene

3,4-dihydro-2H-chromen-3-amine;2H-thiochromene (PubChem CID 66789459) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-amine;2H-thiochromene.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-amine;2H-thiochromene
PubChem CID66789459
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name3,4-dihydro-2H-chromen-3-amine;2H-thiochromene
SMILESC1=Cc2ccccc2SC1.NC1COc2ccccc2C1
InChIInChI=1S/C9H11NO.C9H8S/c10-8-5-7-3-1-2-4-9(7)11-6-8;1-2-6-9-8(4-1)5-3-7-10-9/h1-4,8H,5-6,10H2;1-6H,7H2
InChIKeyLEZCIINSPNJXMY-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-amine;2H-thiochromene?
The IUPAC name of 3,4-dihydro-2H-chromen-3-amine;2H-thiochromene (CID 66789459) is 3,4-dihydro-2H-chromen-3-amine;2H-thiochromene.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-amine;2H-thiochromene?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-amine;2H-thiochromene is C1=Cc2ccccc2SC1.NC1COc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-amine;2H-thiochromene?
The InChIKey is LEZCIINSPNJXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C9H8S/c10-8-5-7-3-1-2-4-9(7)11-6-8;1-2-6-9-8(4-1)5-3-7-10-9/h1-4,8H,5-6,10H2;1-6H,7H2.
What are the key properties of 3,4-dihydro-2H-chromen-3-amine;2H-thiochromene?
3,4-dihydro-2H-chromen-3-amine;2H-thiochromene has a molecular weight of 297.42 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-amine;2H-thiochromene is sourced from PubChem (CID 66789459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).