methyl (5-phenyldibenzothiophen-5-yl) sulfate

C19H16O4S2 — CID 153470135

IUPACmethyl (5-phenyldibenzothiophen-5-yl) sulfate
SMILESCOS(=O)(=O)OS1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16O4S2/c1-22-25(20,21)23-24(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)24/h2-14H,1H3
InChIKeyBVSFVKACGJDUCA-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.77
Rot. Bonds4

About methyl (5-phenyldibenzothiophen-5-yl) sulfate

methyl (5-phenyldibenzothiophen-5-yl) sulfate (PubChem CID 153470135) has the molecular formula C19H16O4S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl (5-phenyldibenzothiophen-5-yl) sulfate.

Molecular Properties

Compound Namemethyl (5-phenyldibenzothiophen-5-yl) sulfate
PubChem CID153470135
Molecular FormulaC19H16O4S2
Molecular Weight372.47 g/mol
Exact Mass372.05
IUPAC Namemethyl (5-phenyldibenzothiophen-5-yl) sulfate
SMILESCOS(=O)(=O)OS1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16O4S2/c1-22-25(20,21)23-24(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)24/h2-14H,1H3
InChIKeyBVSFVKACGJDUCA-UHFFFAOYSA-N
XLogP4.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1-phenyl-1-benzothiophen-1-yl) sulfate
CID 176653935
[5-(2-methylphenyl)dibenzothiophen-5-yl] trifluoromethanesulfonate
CID 170590877
14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 134455264
benzene;dimethyl sulfate
CID 87950048
(diphenyl-λ3-iodanyl) methyl sulfate
CID 140653140
2-ethynyl-5,5-diphenyldibenzothiophene
CID 134201766
6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide
CID 3719228
carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
CID 158868960
dimethyl sulfate;phenol;piperazine
CID 158647991
4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene
CID 139447436
methyl hydrogen sulfate;phenol
CID 174688864
10,10-dioxothioxanthen-9-one;ethane
CID 142164564

Frequently Asked Questions

What is the IUPAC name of methyl (5-phenyldibenzothiophen-5-yl) sulfate?
The IUPAC name of methyl (5-phenyldibenzothiophen-5-yl) sulfate (CID 153470135) is methyl (5-phenyldibenzothiophen-5-yl) sulfate.
What is the SMILES notation for methyl (5-phenyldibenzothiophen-5-yl) sulfate?
The canonical SMILES for methyl (5-phenyldibenzothiophen-5-yl) sulfate is COS(=O)(=O)OS1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (5-phenyldibenzothiophen-5-yl) sulfate?
The InChIKey is BVSFVKACGJDUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S2/c1-22-25(20,21)23-24(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)24/h2-14H,1H3.
What are the key properties of methyl (5-phenyldibenzothiophen-5-yl) sulfate?
methyl (5-phenyldibenzothiophen-5-yl) sulfate has a molecular weight of 372.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5-phenyldibenzothiophen-5-yl) sulfate is sourced from PubChem (CID 153470135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).