10-benzyl-[1]benzothiolo[3,2-b]indole

C21H15NS — CID 71481554

IUPAC10-benzyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(Cn2c3ccccc3c3sc4ccccc4c32)cc1
InChIInChI=1S/C21H15NS/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)21-20(22)17-11-5-7-13-19(17)23-21/h1-13H,14H2
InChIKeyWFUNLOZRENITMB-UHFFFAOYSA-N
MW313.43 g/mol
LogP6.06
Rot. Bonds2

About 10-benzyl-[1]benzothiolo[3,2-b]indole

10-benzyl-[1]benzothiolo[3,2-b]indole (PubChem CID 71481554) has the molecular formula C21H15NS and a molecular weight of 313.43 g/mol. Its IUPAC name is 10-benzyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-benzyl-[1]benzothiolo[3,2-b]indole
PubChem CID71481554
Molecular FormulaC21H15NS
Molecular Weight313.43 g/mol
Exact Mass313.09
IUPAC Name10-benzyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(Cn2c3ccccc3c3sc4ccccc4c32)cc1
InChIInChI=1S/C21H15NS/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)21-20(22)17-11-5-7-13-19(17)23-21/h1-13H,14H2
InChIKeyWFUNLOZRENITMB-UHFFFAOYSA-N
XLogP6.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.43
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
CID 16804670
9-benzyl-25-ethyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 118667433
1-benzylindole-2,3-diamine
CID 142192316
10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole
CID 121298662
15-ethyl-3-thia-15-azahexacyclo[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 135242724
24-[(5-benzyl-2-methylpyrimidin-4-yl)methyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 159010863
1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone
CID 563323
3-benzyl-1,3-benzothiazol-2-imine
CID 677566
2-(3-benzyl-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl)-N-cyclohexylacetamide
CID 16811790
10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole
CID 167133389
10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 121298667
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-benzyl-[1]benzothiolo[3,2-b]indole (CID 71481554) is 10-benzyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-benzyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-benzyl-[1]benzothiolo[3,2-b]indole is c1ccc(Cn2c3ccccc3c3sc4ccccc4c32)cc1.
What is the InChIKey of 10-benzyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is WFUNLOZRENITMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NS/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)21-20(22)17-11-5-7-13-19(17)23-21/h1-13H,14H2.
What are the key properties of 10-benzyl-[1]benzothiolo[3,2-b]indole?
10-benzyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 313.43 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 71481554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).