[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium

C9H11FNS+ — CID 7131598

IUPAC[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium
SMILES[NH3+][C@H]1CCSc2c(F)cccc21
InChIInChI=1S/C9H10FNS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5,11H2/p+1/t8-/m0/s1
InChIKeyRSQICZUGVXJDHV-QMMMGPOBSA-O
MW184.26 g/mol
LogP1.60
Rot. Bonds

About [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium

[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium (PubChem CID 7131598) has the molecular formula C9H11FNS+ and a molecular weight of 184.26 g/mol. Its IUPAC name is [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium.

Molecular Properties

Compound Name[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium
PubChem CID7131598
Molecular FormulaC9H11FNS+
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium
SMILES[NH3+][C@H]1CCSc2c(F)cccc21
InChIInChI=1S/C9H10FNS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5,11H2/p+1/t8-/m0/s1
InChIKeyRSQICZUGVXJDHV-QMMMGPOBSA-O
XLogP1.60
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetic acid
CID 82391493
N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43768553
8-fluoro-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113348557
N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43765030
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576
8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43758296
N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 103777403
8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103606076
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 66352531
8-fluoro-N-(2-phenylsulfanylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 60976209
8-fluoro-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115575511

Frequently Asked Questions

What is the IUPAC name of [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium?
The IUPAC name of [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium (CID 7131598) is [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium.
What is the SMILES notation for [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium?
The canonical SMILES for [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium is [NH3+][C@H]1CCSc2c(F)cccc21.
What is the InChIKey of [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium?
The InChIKey is RSQICZUGVXJDHV-QMMMGPOBSA-O. The full InChI is InChI=1S/C9H10FNS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5,11H2/p+1/t8-/m0/s1.
What are the key properties of [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium?
[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium has a molecular weight of 184.26 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium is sourced from PubChem (CID 7131598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).