4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol

C9H10BrNOS — CID 130137643

IUPAC4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol
SMILESNC1c2cc(Br)ccc2SCC1O
InChIInChI=1S/C9H10BrNOS/c10-5-1-2-8-6(3-5)9(11)7(12)4-13-8/h1-3,7,9,12H,4,11H2
InChIKeyIPTLIMBWVBWNRI-UHFFFAOYSA-N
MW260.16 g/mol
LogP1.92
Rot. Bonds

About 4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol

4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol (PubChem CID 130137643) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol.

Molecular Properties

Compound Name4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol
PubChem CID130137643
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol
SMILESNC1c2cc(Br)ccc2SCC1O
InChIInChI=1S/C9H10BrNOS/c10-5-1-2-8-6(3-5)9(11)7(12)4-13-8/h1-3,7,9,12H,4,11H2
InChIKeyIPTLIMBWVBWNRI-UHFFFAOYSA-N
XLogP1.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83912845
5-bromo-2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 83913289
6-bromo-3,4-dihydro-2H-thiochromen-3-amine
CID 53408397
(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 67280135
1-[4-[(6-bromo-3-methyl-3,4-dihydro-2H-thiochromen-4-yl)amino]piperidin-1-yl]ethanone
CID 154747840
1-(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine
CID 117202068
(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol
CID 101243117
4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 15634796
6-bromo-3,4-dihydro-1H-isothiochromen-4-amine
CID 44630661
1-N-(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 120848280
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
6-bromo-1H-inden-1-ol
CID 85344682

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol?
The IUPAC name of 4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol (CID 130137643) is 4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol.
What is the SMILES notation for 4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol?
The canonical SMILES for 4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol is NC1c2cc(Br)ccc2SCC1O.
What is the InChIKey of 4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol?
The InChIKey is IPTLIMBWVBWNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-5-1-2-8-6(3-5)9(11)7(12)4-13-8/h1-3,7,9,12H,4,11H2.
What are the key properties of 4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol?
4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol has a molecular weight of 260.16 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol is sourced from PubChem (CID 130137643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).