[5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate

C10H7NOS2 — CID 134461009

IUPAC[5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate
SMILESCc1ccc(-c2ccc(OC#N)s2)s1
InChIInChI=1S/C10H7NOS2/c1-7-2-3-8(13-7)9-4-5-10(14-9)12-6-11/h2-5H,1H3
InChIKeyGWUFPKYPFKULMZ-UHFFFAOYSA-N
MW221.31 g/mol
LogP3.64
Rot. Bonds2

About [5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate

[5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate (PubChem CID 134461009) has the molecular formula C10H7NOS2 and a molecular weight of 221.31 g/mol. Its IUPAC name is [5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate.

Molecular Properties

Compound Name[5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate
PubChem CID134461009
Molecular FormulaC10H7NOS2
Molecular Weight221.31 g/mol
Exact Mass221.00
IUPAC Name[5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate
SMILESCc1ccc(-c2ccc(OC#N)s2)s1
InChIInChI=1S/C10H7NOS2/c1-7-2-3-8(13-7)9-4-5-10(14-9)12-6-11/h2-5H,1H3
InChIKeyGWUFPKYPFKULMZ-UHFFFAOYSA-N
XLogP3.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate?
The IUPAC name of [5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate (CID 134461009) is [5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate.
What is the SMILES notation for [5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate?
The canonical SMILES for [5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate is Cc1ccc(-c2ccc(OC#N)s2)s1.
What is the InChIKey of [5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate?
The InChIKey is GWUFPKYPFKULMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS2/c1-7-2-3-8(13-7)9-4-5-10(14-9)12-6-11/h2-5H,1H3.
What are the key properties of [5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate?
[5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate has a molecular weight of 221.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylthiophen-2-yl)thiophen-2-yl] cyanate is sourced from PubChem (CID 134461009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).