2-(aminomethyl)-6-bromothiochromen-4-one

C10H8BrNOS — CID 134330493

IUPAC2-(aminomethyl)-6-bromothiochromen-4-one
SMILESNCc1cc(=O)c2cc(Br)ccc2s1
InChIInChI=1S/C10H8BrNOS/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4H,5,12H2
InChIKeyWSSXBCFCEKSSGG-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.48
Rot. Bonds1

About 2-(aminomethyl)-6-bromothiochromen-4-one

2-(aminomethyl)-6-bromothiochromen-4-one (PubChem CID 134330493) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromothiochromen-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromothiochromen-4-one
PubChem CID134330493
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name2-(aminomethyl)-6-bromothiochromen-4-one
SMILESNCc1cc(=O)c2cc(Br)ccc2s1
InChIInChI=1S/C10H8BrNOS/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4H,5,12H2
InChIKeyWSSXBCFCEKSSGG-UHFFFAOYSA-N
XLogP2.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Bromo-2,3-dihydro-4H-1-benzothiopyran-4-one
CID 13953736
2-Bromo-10-thiaxanthenone
CID 318101
1-(5-Bromo-2-(methylsulfanyl)phenyl)ethan-1-one
CID 10955817
7-Bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-one
CID 17750040
1-[5-Bromo-2-(tert-butylsulfanyl)phenyl]ethan-1-one
CID 82972459
6-Bromothioflavone
CID 629003
2,7-Dibromo-9H-thioxanthen-9-one
CID 13979436
6-Bromo-2-methyl-2,3-dihydrothiochromen-4-one
CID 17796650
6-Bromo-2-phenylthiochroman-4-one
CID 58424213
6-Bromo-4'-fluorothioflavone
CID 630596
6-Bromo-4H-thiochromen-4-one
CID 122366410
2-(5-Bromo-2-methylsulfanylphenyl)-1-phenylethanone
CID 134838358

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromothiochromen-4-one?
The IUPAC name of 2-(aminomethyl)-6-bromothiochromen-4-one (CID 134330493) is 2-(aminomethyl)-6-bromothiochromen-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-bromothiochromen-4-one?
The canonical SMILES for 2-(aminomethyl)-6-bromothiochromen-4-one is NCc1cc(=O)c2cc(Br)ccc2s1.
What is the InChIKey of 2-(aminomethyl)-6-bromothiochromen-4-one?
The InChIKey is WSSXBCFCEKSSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4H,5,12H2.
What are the key properties of 2-(aminomethyl)-6-bromothiochromen-4-one?
2-(aminomethyl)-6-bromothiochromen-4-one has a molecular weight of 270.15 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-bromothiochromen-4-one is sourced from PubChem (CID 134330493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).