2-methylsulfanyloxy-1,3-benzothiazole

C8H7NOS2 — CID 175220247

IUPAC2-methylsulfanyloxy-1,3-benzothiazole
SMILESCSOc1nc2ccccc2s1
InChIInChI=1S/C8H7NOS2/c1-11-10-8-9-6-4-2-3-5-7(6)12-8/h2-5H,1H3
InChIKeyMWWGLLYTIHPPBV-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.95
Rot. Bonds2

About 2-methylsulfanyloxy-1,3-benzothiazole

2-methylsulfanyloxy-1,3-benzothiazole (PubChem CID 175220247) has the molecular formula C8H7NOS2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methylsulfanyloxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-methylsulfanyloxy-1,3-benzothiazole
PubChem CID175220247
Molecular FormulaC8H7NOS2
Molecular Weight197.28 g/mol
Exact Mass197.00
IUPAC Name2-methylsulfanyloxy-1,3-benzothiazole
SMILESCSOc1nc2ccccc2s1
InChIInChI=1S/C8H7NOS2/c1-11-10-8-9-6-4-2-3-5-7(6)12-8/h2-5H,1H3
InChIKeyMWWGLLYTIHPPBV-UHFFFAOYSA-N
XLogP2.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
1,3-benzothiazol-2-yl 2,2,2-trifluoroacetate
CID 91149401
1,3-benzothiazol-2-yl hydrogen sulfite
CID 57059233
bis(1,3-benzothiazol-2-yl) (E)-but-2-enedioate
CID 174377758
2-(1,3-benzothiazol-2-yloxy)-N-tert-butyl-2-methylsulfanylacetamide
CID 67214100
1-(1,3-benzothiazol-2-yloxy)-3-hydroxybutan-2-one
CID 70512470
2-(1,3-benzothiazol-2-yloxy)-4,5-dichloroaniline
CID 107501103
2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole
CID 162662494
1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
CID 69154883
2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 13101352
4-(1,3-benzothiazol-2-yloxy)cyclohexan-1-one
CID 138676550

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyloxy-1,3-benzothiazole?
The IUPAC name of 2-methylsulfanyloxy-1,3-benzothiazole (CID 175220247) is 2-methylsulfanyloxy-1,3-benzothiazole.
What is the SMILES notation for 2-methylsulfanyloxy-1,3-benzothiazole?
The canonical SMILES for 2-methylsulfanyloxy-1,3-benzothiazole is CSOc1nc2ccccc2s1.
What is the InChIKey of 2-methylsulfanyloxy-1,3-benzothiazole?
The InChIKey is MWWGLLYTIHPPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS2/c1-11-10-8-9-6-4-2-3-5-7(6)12-8/h2-5H,1H3.
What are the key properties of 2-methylsulfanyloxy-1,3-benzothiazole?
2-methylsulfanyloxy-1,3-benzothiazole has a molecular weight of 197.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyloxy-1,3-benzothiazole is sourced from PubChem (CID 175220247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).