S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine

C11H15NOS — CID 165409808

IUPACS-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine
SMILESC[C@H]1C[C@H](CSN)c2ccccc2O1
InChIInChI=1S/C11H15NOS/c1-8-6-9(7-14-12)10-4-2-3-5-11(10)13-8/h2-5,8-9H,6-7,12H2,1H3/t8-,9+/m0/s1
InChIKeyWEDCMPAMEGHJNR-DTWKUNHWSA-N
MW209.31 g/mol
LogP2.55
Rot. Bonds2

About S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine

S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine (PubChem CID 165409808) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine
PubChem CID165409808
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameS-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine
SMILESC[C@H]1C[C@H](CSN)c2ccccc2O1
InChIInChI=1S/C11H15NOS/c1-8-6-9(7-14-12)10-4-2-3-5-11(10)13-8/h2-5,8-9H,6-7,12H2,1H3/t8-,9+/m0/s1
InChIKeyWEDCMPAMEGHJNR-DTWKUNHWSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine?
The IUPAC name of S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine (CID 165409808) is S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine.
What is the SMILES notation for S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine?
The canonical SMILES for S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine is C[C@H]1C[C@H](CSN)c2ccccc2O1.
What is the InChIKey of S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine?
The InChIKey is WEDCMPAMEGHJNR-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-6-9(7-14-12)10-4-2-3-5-11(10)13-8/h2-5,8-9H,6-7,12H2,1H3/t8-,9+/m0/s1.
What are the key properties of S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine?
S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine has a molecular weight of 209.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine is sourced from PubChem (CID 165409808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).