6-(bromomethyl)-3,4-dihydro-2H-thiochromene

C10H11BrS — CID 116932395

IUPAC6-(bromomethyl)-3,4-dihydro-2H-thiochromene
SMILESBrCc1ccc2c(c1)CCCS2
InChIInChI=1S/C10H11BrS/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6H,1-2,5,7H2
InChIKeyRULWSOFYISVKRH-UHFFFAOYSA-N
MW243.17 g/mol
LogP3.62
Rot. Bonds1

About 6-(bromomethyl)-3,4-dihydro-2H-thiochromene

6-(bromomethyl)-3,4-dihydro-2H-thiochromene (PubChem CID 116932395) has the molecular formula C10H11BrS and a molecular weight of 243.17 g/mol. Its IUPAC name is 6-(bromomethyl)-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name6-(bromomethyl)-3,4-dihydro-2H-thiochromene
PubChem CID116932395
Molecular FormulaC10H11BrS
Molecular Weight243.17 g/mol
Exact Mass241.98
IUPAC Name6-(bromomethyl)-3,4-dihydro-2H-thiochromene
SMILESBrCc1ccc2c(c1)CCCS2
InChIInChI=1S/C10H11BrS/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6H,1-2,5,7H2
InChIKeyRULWSOFYISVKRH-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(bromomethyl)-3,4-dihydro-2H-thiochromene 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

[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol
CID 115229206
1-(3,4-dihydro-2H-thiochromen-6-yl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258750
2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane
CID 150445494
[1-(3,4-dihydro-2H-thiochromen-6-ylmethyl)cyclopropyl]methanol
CID 116928916
2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine
CID 115259640
[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]methanol
CID 115229368
2-[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]-2-oxoacetic acid
CID 115141424
2,3,4,5-tetrahydro-1-benzothiepin-7-ol
CID 19261834
N'-(3,4-dihydro-2H-thiochromen-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205876
2-(3,4-dihydro-2H-thiochromen-6-ylmethyl)prop-2-enoic acid
CID 116866278
[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-methylamino]methanethiol
CID 115228465
3-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)propane-1-thiol
CID 115224925

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3,4-dihydro-2H-thiochromene?
The IUPAC name of 6-(bromomethyl)-3,4-dihydro-2H-thiochromene (CID 116932395) is 6-(bromomethyl)-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 6-(bromomethyl)-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 6-(bromomethyl)-3,4-dihydro-2H-thiochromene is BrCc1ccc2c(c1)CCCS2.
What is the InChIKey of 6-(bromomethyl)-3,4-dihydro-2H-thiochromene?
The InChIKey is RULWSOFYISVKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrS/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6H,1-2,5,7H2.
What are the key properties of 6-(bromomethyl)-3,4-dihydro-2H-thiochromene?
6-(bromomethyl)-3,4-dihydro-2H-thiochromene has a molecular weight of 243.17 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 116932395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).