naphtho[1,2-b][1]benzothiole 11,11-dioxide

C16H10O2S — CID 13360927

IUPACnaphtho[1,2-b][1]benzothiole 11,11-dioxide
SMILESO=S1(=O)c2ccccc2-c2ccc3ccccc3c21
InChIInChI=1S/C16H10O2S/c17-19(18)15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)19/h1-10H
InChIKeyIZZOHYVSZLMGAK-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.65
Rot. Bonds

About naphtho[1,2-b][1]benzothiole 11,11-dioxide

naphtho[1,2-b][1]benzothiole 11,11-dioxide (PubChem CID 13360927) has the molecular formula C16H10O2S and a molecular weight of 266.32 g/mol. Its IUPAC name is naphtho[1,2-b][1]benzothiole 11,11-dioxide.

Molecular Properties

Compound Namenaphtho[1,2-b][1]benzothiole 11,11-dioxide
PubChem CID13360927
Molecular FormulaC16H10O2S
Molecular Weight266.32 g/mol
Exact Mass266.04
IUPAC Namenaphtho[1,2-b][1]benzothiole 11,11-dioxide
SMILESO=S1(=O)c2ccccc2-c2ccc3ccccc3c21
InChIInChI=1S/C16H10O2S/c17-19(18)15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)19/h1-10H
InChIKeyIZZOHYVSZLMGAK-UHFFFAOYSA-N
XLogP3.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-[2-(5,5-dioxodibenzothiophen-4-yl)phenyl]phenothiazine 5,5-dioxide
CID 145125649
(5,5-dioxodibenzothiophen-4-yl)boronic acid
CID 170898980
(5,5-dioxodibenzothiophen-4-yl)-trimethylsilane
CID 165347293
1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one
CID 155529320
carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
CID 158868960
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide
CID 163540814
4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide
CID 122435618
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]dibenzothiophene 5,5-dioxide
CID 164823132
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
4-ethyl-10,10-dioxothioxanthen-9-one
CID 10564103
3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 126718030

Frequently Asked Questions

What is the IUPAC name of naphtho[1,2-b][1]benzothiole 11,11-dioxide?
The IUPAC name of naphtho[1,2-b][1]benzothiole 11,11-dioxide (CID 13360927) is naphtho[1,2-b][1]benzothiole 11,11-dioxide.
What is the SMILES notation for naphtho[1,2-b][1]benzothiole 11,11-dioxide?
The canonical SMILES for naphtho[1,2-b][1]benzothiole 11,11-dioxide is O=S1(=O)c2ccccc2-c2ccc3ccccc3c21.
What is the InChIKey of naphtho[1,2-b][1]benzothiole 11,11-dioxide?
The InChIKey is IZZOHYVSZLMGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2S/c17-19(18)15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)19/h1-10H.
What are the key properties of naphtho[1,2-b][1]benzothiole 11,11-dioxide?
naphtho[1,2-b][1]benzothiole 11,11-dioxide has a molecular weight of 266.32 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[1,2-b][1]benzothiole 11,11-dioxide is sourced from PubChem (CID 13360927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).