5-Mercaptopentanenitrile

• CAS: 1053658-37-9
• Catalog Number: ACM1053658379
• Category: Biomaterials
• Molecular Weight: 115.2g/mol
• Molecular Formula: C5H9NS
• Synonyms: 4-Cyano-1-butanethiol;5-Mercaptopentanenitrile
• IUPAC Name: 5-sulfanylpentanenitrile
• SMILES: C(CCS)CC#N
• InChI: InChI=1S/C5H9NS/c6-4-2-1-3-5-7/h7H,1-3,5H2
• InChI Key: PABCJNLBWRWMLO-UHFFFAOYSA-N
• Complexity: 71.4
• Covalently-Bonded Unit Count: 1
• Exact Mass: 115.04557g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 7
• Monoisotopic Mass: 115.04557g/mol
• Rotatable Bond Count: 3
• XLogP3: 0.9

Custom Q&A

What is the PubChem CID for 5-Mercaptopentanenitrile?

PubChem CID for 5-Mercaptopentanenitrile is 22033187.

What is the molecular formula of 5-Mercaptopentanenitrile?

The molecular formula of 5-Mercaptopentanenitrile is C5H9NS.

What is the molecular weight of 5-Mercaptopentanenitrile?

The molecular weight of 5-Mercaptopentanenitrile is 115.20 g/mol.

What is the IUPAC name of 5-Mercaptopentanenitrile?

The IUPAC name of 5-Mercaptopentanenitrile is 5-sulfanylpentanenitrile.

What is the InChI of 5-Mercaptopentanenitrile?

The InChI of 5-Mercaptopentanenitrile is InChI=1S/C5H9NS/c6-4-2-1-3-5-7/h7H,1-3,5H2.

What is the InChIKey of 5-Mercaptopentanenitrile?

The InChIKey of 5-Mercaptopentanenitrile is PABCJNLBWRWMLO-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Mercaptopentanenitrile?

The canonical SMILES of 5-Mercaptopentanenitrile is C(CCS)CC#N.

What is the CAS number of 5-Mercaptopentanenitrile?

The CAS number of 5-Mercaptopentanenitrile is 1053658-37-9.

What is the European Community (EC) number of 5-Mercaptopentanenitrile?

The European Community (EC) number of 5-Mercaptopentanenitrile is 693-552-2.

Is 5-Mercaptopentanenitrile considered a canonicalized compound?

Yes, 5-Mercaptopentanenitrile is considered a canonicalized compound, according to PubChem.