4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole

C20H15NS — CID 167093521

IUPAC4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole
SMILESCc1cccc2c1[nH]c1c(C)cc3c4ccccc4sc3c12
InChIInChI=1S/C20H15NS/c1-11-6-5-8-14-17-19(21-18(11)14)12(2)10-15-13-7-3-4-9-16(13)22-20(15)17/h3-10,21H,1-2H3
InChIKeyZTCJZXFKZFXFLW-UHFFFAOYSA-N
MW301.41 g/mol
LogP6.31
Rot. Bonds

About 4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole

4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole (PubChem CID 167093521) has the molecular formula C20H15NS and a molecular weight of 301.41 g/mol. Its IUPAC name is 4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole
PubChem CID167093521
Molecular FormulaC20H15NS
Molecular Weight301.41 g/mol
Exact Mass301.09
IUPAC Name4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole
SMILESCc1cccc2c1[nH]c1c(C)cc3c4ccccc4sc3c12
InChIInChI=1S/C20H15NS/c1-11-6-5-8-14-17-19(21-18(11)14)12(2)10-15-13-7-3-4-9-16(13)22-20(15)17/h3-10,21H,1-2H3
InChIKeyZTCJZXFKZFXFLW-UHFFFAOYSA-N
XLogP6.31
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 15818020
1-methyldibenzothiophene
CID 23839
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CID 11448489
12,24-dimethyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 144723714
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
7-methyl-9-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13,15,17,20,23,25,27-dodecaene-12,19,22,29-tetrone
CID 19431832
1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene
CID 175613525
2-(4-methylnaphtho[1,2-b][1]benzothiol-6-yl)acetonitrile
CID 13248502
6,23,40-trithia-3,20,37-triazatridecacyclo[34.15.0.02,18.04,16.05,13.07,12.019,35.021,33.022,30.024,29.038,50.039,47.041,46]henpentaconta-1,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31,35,38(50),39(47),41,43,45,48-henicosaene-17,34,51-trione
CID 142384503
4-iodo-2-methyldibenzothiophene
CID 134396873
6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole
CID 168762965
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole (CID 167093521) is 4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole is Cc1cccc2c1[nH]c1c(C)cc3c4ccccc4sc3c12.
What is the InChIKey of 4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is ZTCJZXFKZFXFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NS/c1-11-6-5-8-14-17-19(21-18(11)14)12(2)10-15-13-7-3-4-9-16(13)22-20(15)17/h3-10,21H,1-2H3.
What are the key properties of 4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole?
4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 301.41 g/mol, XLogP of 6.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 167093521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).