1,5-Pentanedithiol

• CAS: 928-98-3
• Catalog Number: ACM-MO-928983
• Category: Biomaterials; Dithiol Monomers
• Molecular Weight: 136.27 g/mol
• Molecular Formula: C5H12S2
• Synonyms: 1,5-Dimercaptopentane
• IUPAC Name: pentane-1,5-dithiol
• Canonical SMILES: C(CCS)CCS
• InChI: InChI=1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2
• InChI Key: KMTUBAIXCBHPIZ-UHFFFAOYSA-N
• Boiling Point: 108 °C/15 mmHg
• Melting Point: -72 °C
• Flash Point: 95 °C
• Appearance: Colorless to Light Yellow Clear Liquid
• Complexity: 25.3
• Condition To Avoid: Air Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 213-194-9
• Exact Mass: 136.038043g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 7
• Monoisotopic Mass: 136.038043g/mol
• NSC Number: 51699
• Physical State: Liquid
• Refractive Index: 1.52
• Rotatable Bond Count: 4
• Specific Gravity: 1.02
• UNII: R8RC3Q7T1W
• XLogP3: 1.9

Custom Q&A

What is the molecular formula of 1,5-Pentanedithiol?

The molecular formula of 1,5-Pentanedithiol is C5H12S2.

What is the molecular weight of 1,5-Pentanedithiol?

The molecular weight of 1,5-Pentanedithiol is 136.3 g/mol.

What is the IUPAC name of 1,5-Pentanedithiol?

The IUPAC name of 1,5-Pentanedithiol is pentane-1,5-dithiol.

What is the InChI of 1,5-Pentanedithiol?

The InChI of 1,5-Pentanedithiol is InChI=1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2.

What is the InChIKey of 1,5-Pentanedithiol?

The InChIKey of 1,5-Pentanedithiol is KMTUBAIXCBHPIZ-UHFFFAOYSA-N.

What is the canonical SMILES of 1,5-Pentanedithiol?

The canonical SMILES of 1,5-Pentanedithiol is C(CCS)CCS.

What is the CAS number of 1,5-Pentanedithiol?

The CAS number of 1,5-Pentanedithiol is 928-98-3.

What is the European Community (EC) number of 1,5-Pentanedithiol?

The European Community (EC) number of 1,5-Pentanedithiol is 213-194-9.

What is the UNII of 1,5-Pentanedithiol?

The UNII of 1,5-Pentanedithiol is R8RC3Q7T1W.