N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide

C8H6N2OS2 — CID 3624062

IUPACN-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide
SMILESO=CNc1ccc2[nH]c(=S)sc2c1
InChIInChI=1S/C8H6N2OS2/c11-4-9-5-1-2-6-7(3-5)13-8(12)10-6/h1-4H,(H,9,11)(H,10,12)
InChIKeyUWNCYYSAPQELAU-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.53
Rot. Bonds2

About N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide

N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide (PubChem CID 3624062) has the molecular formula C8H6N2OS2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide.

Molecular Properties

Compound NameN-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide
PubChem CID3624062
Molecular FormulaC8H6N2OS2
Molecular Weight210.28 g/mol
Exact Mass209.99
IUPAC NameN-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide
SMILESO=CNc1ccc2[nH]c(=S)sc2c1
InChIInChI=1S/C8H6N2OS2/c11-4-9-5-1-2-6-7(3-5)13-8(12)10-6/h1-4H,(H,9,11)(H,10,12)
InChIKeyUWNCYYSAPQELAU-UHFFFAOYSA-N
XLogP2.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide?
The IUPAC name of N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide (CID 3624062) is N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide.
What is the SMILES notation for N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide?
The canonical SMILES for N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide is O=CNc1ccc2[nH]c(=S)sc2c1.
What is the InChIKey of N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide?
The InChIKey is UWNCYYSAPQELAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS2/c11-4-9-5-1-2-6-7(3-5)13-8(12)10-6/h1-4H,(H,9,11)(H,10,12).
What are the key properties of N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide?
N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide has a molecular weight of 210.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)formamide is sourced from PubChem (CID 3624062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).