6-bromo-3,4-dihydro-2H-thiochromen-3-amine

C9H10BrNS — CID 53408397

IUPAC6-bromo-3,4-dihydro-2H-thiochromen-3-amine
SMILESNC1CSc2ccc(Br)cc2C1
InChIInChI=1S/C9H10BrNS/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8H,4-5,11H2
InChIKeyLJWRGYCUPKZNCC-UHFFFAOYSA-N
MW244.16 g/mol
LogP2.42
Rot. Bonds

About 6-bromo-3,4-dihydro-2H-thiochromen-3-amine

6-bromo-3,4-dihydro-2H-thiochromen-3-amine (PubChem CID 53408397) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-thiochromen-3-amine.

Molecular Properties

Compound Name6-bromo-3,4-dihydro-2H-thiochromen-3-amine
PubChem CID53408397
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name6-bromo-3,4-dihydro-2H-thiochromen-3-amine
SMILESNC1CSc2ccc(Br)cc2C1
InChIInChI=1S/C9H10BrNS/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8H,4-5,11H2
InChIKeyLJWRGYCUPKZNCC-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3,4-dihydro-2H-thiochromen-3-amine
CID 82401614
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 86326564
4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol
CID 130137643
3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
CID 117201027
1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117201009
(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83912845
6-bromo-3-methyl-3,4-dihydro-2H-1,2-benzothiazine
CID 122538323
(6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine
CID 82394109
7-bromo-4-methyl-2,3,4,5-tetrahydro-1,2-benzothiazepine
CID 118170492
5-bromo-1-deuterio-2,3-dihydroinden-1-amine
CID 172734129
(3R)-7-bromo-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
CID 141286392

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dihydro-2H-thiochromen-3-amine?
The IUPAC name of 6-bromo-3,4-dihydro-2H-thiochromen-3-amine (CID 53408397) is 6-bromo-3,4-dihydro-2H-thiochromen-3-amine.
What is the SMILES notation for 6-bromo-3,4-dihydro-2H-thiochromen-3-amine?
The canonical SMILES for 6-bromo-3,4-dihydro-2H-thiochromen-3-amine is NC1CSc2ccc(Br)cc2C1.
What is the InChIKey of 6-bromo-3,4-dihydro-2H-thiochromen-3-amine?
The InChIKey is LJWRGYCUPKZNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8H,4-5,11H2.
What are the key properties of 6-bromo-3,4-dihydro-2H-thiochromen-3-amine?
6-bromo-3,4-dihydro-2H-thiochromen-3-amine has a molecular weight of 244.16 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dihydro-2H-thiochromen-3-amine is sourced from PubChem (CID 53408397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).