8-bromo-[1]benzothiolo[3,2-b]chromen-11-one

C15H7BrO2S — CID 153449992

IUPAC8-bromo-[1]benzothiolo[3,2-b]chromen-11-one
SMILESO=c1c2ccccc2oc2c1sc1cc(Br)ccc12
InChIInChI=1S/C15H7BrO2S/c16-8-5-6-10-12(7-8)19-15-13(17)9-3-1-2-4-11(9)18-14(10)15/h1-7H
InChIKeyHSDADPDGGSBTMA-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.92
Rot. Bonds

About 8-bromo-[1]benzothiolo[3,2-b]chromen-11-one

8-bromo-[1]benzothiolo[3,2-b]chromen-11-one (PubChem CID 153449992) has the molecular formula C15H7BrO2S and a molecular weight of 331.19 g/mol. Its IUPAC name is 8-bromo-[1]benzothiolo[3,2-b]chromen-11-one.

Molecular Properties

Compound Name8-bromo-[1]benzothiolo[3,2-b]chromen-11-one
PubChem CID153449992
Molecular FormulaC15H7BrO2S
Molecular Weight331.19 g/mol
Exact Mass329.94
IUPAC Name8-bromo-[1]benzothiolo[3,2-b]chromen-11-one
SMILESO=c1c2ccccc2oc2c1sc1cc(Br)ccc12
InChIInChI=1S/C15H7BrO2S/c16-8-5-6-10-12(7-8)19-15-13(17)9-3-1-2-4-11(9)18-14(10)15/h1-7H
InChIKeyHSDADPDGGSBTMA-UHFFFAOYSA-N
XLogP4.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-[1]benzothiolo[3,2-b]chromen-11-one
CID 153449997
7-bromo-[1]benzofuro[3,2-b]chromen-11-one
CID 153449994
12-bromo-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 167303441
N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine
CID 155135327
2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran
CID 147991846
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
8-chloro-14-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
CID 164758773
3-bromophenanthro[1,2-b][1]benzofuran
CID 132507376
9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one
CID 54450197
18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185814
2-[2-(4-bromophenyl)ethenyl]chromen-4-one
CID 77393330
2-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047

Frequently Asked Questions

What is the IUPAC name of 8-bromo-[1]benzothiolo[3,2-b]chromen-11-one?
The IUPAC name of 8-bromo-[1]benzothiolo[3,2-b]chromen-11-one (CID 153449992) is 8-bromo-[1]benzothiolo[3,2-b]chromen-11-one.
What is the SMILES notation for 8-bromo-[1]benzothiolo[3,2-b]chromen-11-one?
The canonical SMILES for 8-bromo-[1]benzothiolo[3,2-b]chromen-11-one is O=c1c2ccccc2oc2c1sc1cc(Br)ccc12.
What is the InChIKey of 8-bromo-[1]benzothiolo[3,2-b]chromen-11-one?
The InChIKey is HSDADPDGGSBTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrO2S/c16-8-5-6-10-12(7-8)19-15-13(17)9-3-1-2-4-11(9)18-14(10)15/h1-7H.
What are the key properties of 8-bromo-[1]benzothiolo[3,2-b]chromen-11-one?
8-bromo-[1]benzothiolo[3,2-b]chromen-11-one has a molecular weight of 331.19 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-[1]benzothiolo[3,2-b]chromen-11-one is sourced from PubChem (CID 153449992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).