[1]benzothiolo[3,2-c][1,2]thiazole

C9H5NS2 — CID 14933191

IUPAC[1]benzothiolo[3,2-c][1,2]thiazole
SMILESc1ccc2c(c1)sc1csnc12
InChIInChI=1S/C9H5NS2/c1-2-4-7-6(3-1)9-8(12-7)5-11-10-9/h1-5H
InChIKeyPWZUBRQDGLAJNP-UHFFFAOYSA-N
MW191.28 g/mol
LogP3.51
Rot. Bonds

About [1]benzothiolo[3,2-c][1,2]thiazole

[1]benzothiolo[3,2-c][1,2]thiazole (PubChem CID 14933191) has the molecular formula C9H5NS2 and a molecular weight of 191.28 g/mol. Its IUPAC name is [1]benzothiolo[3,2-c][1,2]thiazole.

Molecular Properties

Compound Name[1]benzothiolo[3,2-c][1,2]thiazole
PubChem CID14933191
Molecular FormulaC9H5NS2
Molecular Weight191.28 g/mol
Exact Mass190.99
IUPAC Name[1]benzothiolo[3,2-c][1,2]thiazole
SMILESc1ccc2c(c1)sc1csnc12
InChIInChI=1S/C9H5NS2/c1-2-4-7-6(3-1)9-8(12-7)5-11-10-9/h1-5H
InChIKeyPWZUBRQDGLAJNP-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dibenzothiophene;methane
CID 162233710
[1]benzothiolo[3,2-b]pyridine
CID 174218515
bis(dibenzothiophene);ethane
CID 143921746
dibenzothiophene;formaldehyde
CID 20556925
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
thiochromeno[3,4-c][1,2,5]thiadiazol-4-one
CID 768412
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 145072070
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine
CID 172684607
[1]benzothiolo[3,2-b]pyridine;pyridine
CID 158699365
2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 69206815
2-iodo-[1]benzothiolo[3,2-d]pyrimidine
CID 135291643

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[3,2-c][1,2]thiazole?
The IUPAC name of [1]benzothiolo[3,2-c][1,2]thiazole (CID 14933191) is [1]benzothiolo[3,2-c][1,2]thiazole.
What is the SMILES notation for [1]benzothiolo[3,2-c][1,2]thiazole?
The canonical SMILES for [1]benzothiolo[3,2-c][1,2]thiazole is c1ccc2c(c1)sc1csnc12.
What is the InChIKey of [1]benzothiolo[3,2-c][1,2]thiazole?
The InChIKey is PWZUBRQDGLAJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NS2/c1-2-4-7-6(3-1)9-8(12-7)5-11-10-9/h1-5H.
What are the key properties of [1]benzothiolo[3,2-c][1,2]thiazole?
[1]benzothiolo[3,2-c][1,2]thiazole has a molecular weight of 191.28 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[3,2-c][1,2]thiazole is sourced from PubChem (CID 14933191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).