10-bromo-11H-[1]benzothiolo[3,2-b]carbazole

C18H10BrNS — CID 142468905

IUPAC10-bromo-11H-[1]benzothiolo[3,2-b]carbazole
SMILESBrc1cccc2c1[nH]c1cc3c(cc12)sc1ccccc13
InChIInChI=1S/C18H10BrNS/c19-14-6-3-5-11-12-9-17-13(8-15(12)20-18(11)14)10-4-1-2-7-16(10)21-17/h1-9,20H
InChIKeyRSBBWNONFZIMGF-UHFFFAOYSA-N
MW352.26 g/mol
LogP6.45
Rot. Bonds

About 10-bromo-11H-[1]benzothiolo[3,2-b]carbazole

10-bromo-11H-[1]benzothiolo[3,2-b]carbazole (PubChem CID 142468905) has the molecular formula C18H10BrNS and a molecular weight of 352.26 g/mol. Its IUPAC name is 10-bromo-11H-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name10-bromo-11H-[1]benzothiolo[3,2-b]carbazole
PubChem CID142468905
Molecular FormulaC18H10BrNS
Molecular Weight352.26 g/mol
Exact Mass350.97
IUPAC Name10-bromo-11H-[1]benzothiolo[3,2-b]carbazole
SMILESBrc1cccc2c1[nH]c1cc3c(cc12)sc1ccccc13
InChIInChI=1S/C18H10BrNS/c19-14-6-3-5-11-12-9-17-13(8-15(12)20-18(11)14)10-4-1-2-7-16(10)21-17/h1-9,20H
InChIKeyRSBBWNONFZIMGF-UHFFFAOYSA-N
XLogP6.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

22-thia-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 134224749
2-bromodibenzothiophen-3-ol
CID 135277310
1-(4-dibenzothiophen-2-ylphenyl)-9H-carbazole
CID 142569531
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
16-bromo-14,21-dioxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 176586584
12H-thiochromeno[2,3-b]acridine-7,14-dione
CID 67634698
8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
CID 166787448
6,18-bis([1]benzothiolo[3,2-b][1]benzothiol-2-yl)-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 144723697
dibenzothiophene;methane
CID 162233710
3-[(4-bromophenyl)-dibenzothiophen-3-ylphosphoryl]dibenzothiophene
CID 169086317
8-(4-dibenzothiophen-2-ylphenyl)-7H-benzo[c]carbazole
CID 142567945
bis(dibenzothiophene);ethane
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Frequently Asked Questions

What is the IUPAC name of 10-bromo-11H-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 10-bromo-11H-[1]benzothiolo[3,2-b]carbazole (CID 142468905) is 10-bromo-11H-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 10-bromo-11H-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 10-bromo-11H-[1]benzothiolo[3,2-b]carbazole is Brc1cccc2c1[nH]c1cc3c(cc12)sc1ccccc13.
What is the InChIKey of 10-bromo-11H-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is RSBBWNONFZIMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrNS/c19-14-6-3-5-11-12-9-17-13(8-15(12)20-18(11)14)10-4-1-2-7-16(10)21-17/h1-9,20H.
What are the key properties of 10-bromo-11H-[1]benzothiolo[3,2-b]carbazole?
10-bromo-11H-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 352.26 g/mol, XLogP of 6.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-11H-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 142468905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).