hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane

C8H7NO2S3 — CID 58683338

IUPAChydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane
SMILESCc1nc2cc(OS(O)=S)ccc2s1
InChIInChI=1S/C8H7NO2S3/c1-5-9-7-4-6(11-14(10)12)2-3-8(7)13-5/h2-4H,1H3,(H,10,12)
InChIKeyIYRKIOBWDWSAAW-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.45
Rot. Bonds2

About hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane

hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane (PubChem CID 58683338) has the molecular formula C8H7NO2S3 and a molecular weight of 245.35 g/mol. Its IUPAC name is hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namehydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane
PubChem CID58683338
Molecular FormulaC8H7NO2S3
Molecular Weight245.35 g/mol
Exact Mass244.96
IUPAC Namehydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane
SMILESCc1nc2cc(OS(O)=S)ccc2s1
InChIInChI=1S/C8H7NO2S3/c1-5-9-7-4-6(11-14(10)12)2-3-8(7)13-5/h2-4H,1H3,(H,10,12)
InChIKeyIYRKIOBWDWSAAW-UHFFFAOYSA-N
XLogP2.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 2-methyl-5-sulfidosulfinyloxy-1,3-benzothiazole
CID 58683337
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole
CID 89461022
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole
CID 138807740
2-methyl-5-[(S)-methylsulfinyl]-1,3-benzothiazole
CID 94044690
5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
CID 171855018
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine
CID 139598514
ethyl 6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]hexanoate
CID 177166236
2-methyl-5-methylsulfanyl-1,3-benzothiazole
CID 10954473
2-methyl-1,3-benzothiazole-5-carbonyl chloride
CID 45077000

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane?
The IUPAC name of hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane (CID 58683338) is hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane.
What is the SMILES notation for hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane?
The canonical SMILES for hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane is Cc1nc2cc(OS(O)=S)ccc2s1.
What is the InChIKey of hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane?
The InChIKey is IYRKIOBWDWSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S3/c1-5-9-7-4-6(11-14(10)12)2-3-8(7)13-5/h2-4H,1H3,(H,10,12).
What are the key properties of hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane?
hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane has a molecular weight of 245.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 58683338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).