3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine

C15H25NOS — CID 19770849

IUPAC3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine
SMILESCCCN(O)CCC.c1ccc2c(c1)CCCS2
InChIInChI=1S/C9H10S.C6H15NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-5-7(8)6-4-2/h1-2,4,6H,3,5,7H2;8H,3-6H2,1-2H3
InChIKeyARGVTHBNRKTIJF-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.22
Rot. Bonds4

About 3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine

3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine (PubChem CID 19770849) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine.

Molecular Properties

Compound Name3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine
PubChem CID19770849
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine
SMILESCCCN(O)CCC.c1ccc2c(c1)CCCS2
InChIInChI=1S/C9H10S.C6H15NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-5-7(8)6-4-2/h1-2,4,6H,3,5,7H2;8H,3-6H2,1-2H3
InChIKeyARGVTHBNRKTIJF-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine?
The IUPAC name of 3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine (CID 19770849) is 3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine.
What is the SMILES notation for 3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine?
The canonical SMILES for 3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine is CCCN(O)CCC.c1ccc2c(c1)CCCS2.
What is the InChIKey of 3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine?
The InChIKey is ARGVTHBNRKTIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S.C6H15NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-5-7(8)6-4-2/h1-2,4,6H,3,5,7H2;8H,3-6H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine?
3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine has a molecular weight of 267.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine is sourced from PubChem (CID 19770849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).