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

C15H7BrO2S — CID 153449997

IUPAC7-bromo-[1]benzothiolo[3,2-b]chromen-11-one
SMILESO=c1c2ccccc2oc2c1sc1ccc(Br)cc12
InChIInChI=1S/C15H7BrO2S/c16-8-5-6-12-10(7-8)14-15(19-12)13(17)9-3-1-2-4-11(9)18-14/h1-7H
InChIKeyARUYXRONWMFAMO-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.92
Rot. Bonds

About 7-bromo-[1]benzothiolo[3,2-b]chromen-11-one

7-bromo-[1]benzothiolo[3,2-b]chromen-11-one (PubChem CID 153449997) has the molecular formula C15H7BrO2S and a molecular weight of 331.19 g/mol. Its IUPAC name is 7-bromo-[1]benzothiolo[3,2-b]chromen-11-one.

Molecular Properties

Compound Name7-bromo-[1]benzothiolo[3,2-b]chromen-11-one
PubChem CID153449997
Molecular FormulaC15H7BrO2S
Molecular Weight331.19 g/mol
Exact Mass329.94
IUPAC Name7-bromo-[1]benzothiolo[3,2-b]chromen-11-one
SMILESO=c1c2ccccc2oc2c1sc1ccc(Br)cc12
InChIInChI=1S/C15H7BrO2S/c16-8-5-6-12-10(7-8)14-15(19-12)13(17)9-3-1-2-4-11(9)18-14/h1-7H
InChIKeyARUYXRONWMFAMO-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

8-bromo-[1]benzothiolo[3,2-b]chromen-11-one
CID 153449992
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
2-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047
molecular bromine;5,14,23-tribromo-9,18,27-trithiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene;9,18,27-trithiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 159179168
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
2-bromo-7-phenylthioxanthen-9-one
CID 123137766
9,21-dioxa-18-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 45139849
3-bromophenanthro[1,2-b][1]benzofuran
CID 132507376
chloromethane;dibenzothiophene;2,8-dibromodibenzothiophene;molecular bromine
CID 157372043
10-bromo-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 126720620

Frequently Asked Questions

What is the IUPAC name of 7-bromo-[1]benzothiolo[3,2-b]chromen-11-one?
The IUPAC name of 7-bromo-[1]benzothiolo[3,2-b]chromen-11-one (CID 153449997) is 7-bromo-[1]benzothiolo[3,2-b]chromen-11-one.
What is the SMILES notation for 7-bromo-[1]benzothiolo[3,2-b]chromen-11-one?
The canonical SMILES for 7-bromo-[1]benzothiolo[3,2-b]chromen-11-one is O=c1c2ccccc2oc2c1sc1ccc(Br)cc12.
What is the InChIKey of 7-bromo-[1]benzothiolo[3,2-b]chromen-11-one?
The InChIKey is ARUYXRONWMFAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrO2S/c16-8-5-6-12-10(7-8)14-15(19-12)13(17)9-3-1-2-4-11(9)18-14/h1-7H.
What are the key properties of 7-bromo-[1]benzothiolo[3,2-b]chromen-11-one?
7-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 7-bromo-[1]benzothiolo[3,2-b]chromen-11-one is sourced from PubChem (CID 153449997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).