[1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane

C130H120Cl2I2S16Si4 — CID 159964048

IUPAC[1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane
SMILESCSc1ccc(C)cc1C#C[Si](C)(C)C.CSc1ccccc1C#C[Si](C)(C)C.C[Si](C)(C)c1sc2ccccc2c1Sc1ccccc1.Cc1ccc2c(c1)sc1c3ccccc3sc21.Cc1ccc2sc(I)c(Sc3ccccc3)c2c1.Cc1ccc2sc([Si](C)(C)C)c(Sc3ccccc3)c2c1.ClSc1ccccc1.ClSc1ccccc1.Ic1sc2ccccc2c1Sc1ccccc1.c1ccc2c(c1)sc1c3ccccc3sc21
InChIInChI=1S/C18H20S2Si.C17H18S2Si.C15H11IS2.C15H10S2.C14H9IS2.C14H8S2.C13H18SSi.C12H16SSi.2C6H5ClS/c1-13-10-11-16-15(12-13)17(18(20-16)21(2,3)4)19-14-8-6-5-7-9-14;1-20(2,3)17-16(18-13-9-5-4-6-10-13)14-11-7-8-12-15(14)19-17;1-10-7-8-13-12(9-10)14(15(16)18-13)17-11-5-3-2-4-6-11;1-9-6-7-11-13(8-9)17-14-10-4-2-3-5-12(10)16-15(11)14;15-14-13(16-10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14;1-3-7-11-9(5-1)13-14(15-11)10-6-2-4-8-12(10)16-13;1-11-6-7-13(14-2)12(10-11)8-9-15(3,4)5;1-13-12-8-6-5-7-11(12)9-10-14(2,3)4;2*7-8-6-4-2-1-3-5-6/h5-12H,1-4H3;4-12H,1-3H3;2-9H,1H3;2-8H,1H3;1-9H;1-8H;6-7,10H,1-5H3;5-8H,1-4H3;2*1-5H
InChIKeyODRTXCFRBXTAMY-UHFFFAOYSA-N
MW2632.52 g/mol
LogP47.42
Rot. Bonds14

About [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane

[1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane (PubChem CID 159964048) has the molecular formula C130H120Cl2I2S16Si4 and a molecular weight of 2632.52 g/mol. Its IUPAC name is [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane.

Molecular Properties

Compound Name[1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane
PubChem CID159964048
Molecular FormulaC130H120Cl2I2S16Si4
Molecular Weight2632.52 g/mol
Exact Mass2628.15
IUPAC Name[1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane
SMILESCSc1ccc(C)cc1C#C[Si](C)(C)C.CSc1ccccc1C#C[Si](C)(C)C.C[Si](C)(C)c1sc2ccccc2c1Sc1ccccc1.Cc1ccc2c(c1)sc1c3ccccc3sc21.Cc1ccc2sc(I)c(Sc3ccccc3)c2c1.Cc1ccc2sc([Si](C)(C)C)c(Sc3ccccc3)c2c1.ClSc1ccccc1.ClSc1ccccc1.Ic1sc2ccccc2c1Sc1ccccc1.c1ccc2c(c1)sc1c3ccccc3sc21
InChIInChI=1S/C18H20S2Si.C17H18S2Si.C15H11IS2.C15H10S2.C14H9IS2.C14H8S2.C13H18SSi.C12H16SSi.2C6H5ClS/c1-13-10-11-16-15(12-13)17(18(20-16)21(2,3)4)19-14-8-6-5-7-9-14;1-20(2,3)17-16(18-13-9-5-4-6-10-13)14-11-7-8-12-15(14)19-17;1-10-7-8-13-12(9-10)14(15(16)18-13)17-11-5-3-2-4-6-11;1-9-6-7-11-13(8-9)17-14-10-4-2-3-5-12(10)16-15(11)14;15-14-13(16-10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14;1-3-7-11-9(5-1)13-14(15-11)10-6-2-4-8-12(10)16-13;1-11-6-7-13(14-2)12(10-11)8-9-15(3,4)5;1-13-12-8-6-5-7-11(12)9-10-14(2,3)4;2*7-8-6-4-2-1-3-5-6/h5-12H,1-4H3;4-12H,1-3H3;2-9H,1H3;2-8H,1H3;1-9H;1-8H;6-7,10H,1-5H3;5-8H,1-4H3;2*1-5H
InChIKeyODRTXCFRBXTAMY-UHFFFAOYSA-N
XLogP47.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002632.52
LogP ≤ 547.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane with MolForge

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Related Compounds

trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane
CID 102189384
trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane
CID 10893729
7-methyl-2-[2-(4-methylphenyl)ethynyl]-[1]benzothiolo[3,2-b][1]benzothiole
CID 143875532
1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
1-methyl-4-[2-(2-methylsulfanylphenyl)ethynyl]benzene
CID 151692621
1-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 159683586
6-methyl-3,11-dithiapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,12,14,16,18-nonaene
CID 118333927
2-(5-methylthiophen-2-yl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 118333894
17-methyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17,20-decaene
CID 89117299
2-methylsulfanyldibenzothiophene-1,4-diamine
CID 68823377

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane?
The IUPAC name of [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane (CID 159964048) is [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane.
What is the SMILES notation for [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane?
The canonical SMILES for [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane is CSc1ccc(C)cc1C#C[Si](C)(C)C.CSc1ccccc1C#C[Si](C)(C)C.C[Si](C)(C)c1sc2ccccc2c1Sc1ccccc1.Cc1ccc2c(c1)sc1c3ccccc3sc21.Cc1ccc2sc(I)c(Sc3ccccc3)c2c1.Cc1ccc2sc([Si](C)(C)C)c(Sc3ccccc3)c2c1.ClSc1ccccc1.ClSc1ccccc1.Ic1sc2ccccc2c1Sc1ccccc1.c1ccc2c(c1)sc1c3ccccc3sc21.
What is the InChIKey of [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane?
The InChIKey is ODRTXCFRBXTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S2Si.C17H18S2Si.C15H11IS2.C15H10S2.C14H9IS2.C14H8S2.C13H18SSi.C12H16SSi.2C6H5ClS/c1-13-10-11-16-15(12-13)17(18(20-16)21(2,3)4)19-14-8-6-5-7-9-14;1-20(2,3)17-16(18-13-9-5-4-6-10-13)14-11-7-8-12-15(14)19-17;1-10-7-8-13-12(9-10)14(15(16)18-13)17-11-5-3-2-4-6-11;1-9-6-7-11-13(8-9)17-14-10-4-2-3-5-12(10)16-15(11)14;15-14-13(16-10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14;1-3-7-11-9(5-1)13-14(15-11)10-6-2-4-8-12(10)16-13;1-11-6-7-13(14-2)12(10-11)8-9-15(3,4)5;1-13-12-8-6-5-7-11(12)9-10-14(2,3)4;2*7-8-6-4-2-1-3-5-6/h5-12H,1-4H3;4-12H,1-3H3;2-9H,1H3;2-8H,1H3;1-9H;1-8H;6-7,10H,1-5H3;5-8H,1-4H3;2*1-5H.
What are the key properties of [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane?
[1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane has a molecular weight of 2632.52 g/mol, XLogP of 47.42, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[3,2-b][1]benzothiole;2-iodo-5-methyl-3-phenylsulfanyl-1-benzothiophene;2-iodo-3-phenylsulfanyl-1-benzothiophene;2-methyl-[1]benzothiolo[3,2-b][1]benzothiole;phenyl thiohypochlorite;trimethyl-[2-(5-methyl-2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(5-methyl-3-phenylsulfanyl-1-benzothiophen-2-yl)silane;trimethyl-[2-(2-methylsulfanylphenyl)ethynyl]silane;trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane is sourced from PubChem (CID 159964048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).