ethane;7-methyl-1,2-benzothiazole

C10H13NS — CID 145003197

IUPACethane;7-methyl-1,2-benzothiazole
SMILESCC.Cc1cccc2cnsc12
InChIInChI=1S/C8H7NS.C2H6/c1-6-3-2-4-7-5-9-10-8(6)7;1-2/h2-5H,1H3;1-2H3
InChIKeyNXWCMMFXUTZNTP-UHFFFAOYSA-N
MW179.29 g/mol
LogP3.63
Rot. Bonds

About ethane;7-methyl-1,2-benzothiazole

ethane;7-methyl-1,2-benzothiazole (PubChem CID 145003197) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is ethane;7-methyl-1,2-benzothiazole.

Molecular Properties

Compound Nameethane;7-methyl-1,2-benzothiazole
PubChem CID145003197
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Nameethane;7-methyl-1,2-benzothiazole
SMILESCC.Cc1cccc2cnsc12
InChIInChI=1S/C8H7NS.C2H6/c1-6-3-2-4-7-5-9-10-8(6)7;1-2/h2-5H,1H3;1-2H3
InChIKeyNXWCMMFXUTZNTP-UHFFFAOYSA-N
XLogP3.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1,2-benzothiazole?
The IUPAC name of ethane;7-methyl-1,2-benzothiazole (CID 145003197) is ethane;7-methyl-1,2-benzothiazole.
What is the SMILES notation for ethane;7-methyl-1,2-benzothiazole?
The canonical SMILES for ethane;7-methyl-1,2-benzothiazole is CC.Cc1cccc2cnsc12.
What is the InChIKey of ethane;7-methyl-1,2-benzothiazole?
The InChIKey is NXWCMMFXUTZNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.C2H6/c1-6-3-2-4-7-5-9-10-8(6)7;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;7-methyl-1,2-benzothiazole?
ethane;7-methyl-1,2-benzothiazole has a molecular weight of 179.29 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1,2-benzothiazole is sourced from PubChem (CID 145003197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).