1-Mercapto-2-propanol

• CAS: 1068-47-9
• Catalog Number: ACM1068479
• Category: Biomaterials
• Molecular Weight: 92.16g/mol
• Molecular Formula: C3H8OS
• Synonyms: 2-HYDROXY-1-PROPANETHIOL;1-MERCAPTO-2-PROPANOL;1-mercaptopropan-2-ol;1-MERCAPTO-2-PROPANOL 95+%;2-Propanol, 1-mercapto-;3-Mercapto-2-propanol;3-Mercaptopropane-2-ol;Einecs 213-946-6
• IUPAC Name: 1-sulfanylpropan-2-ol
• Canonical SMILES: CC(CS)O
• InChI: InChI=1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3
• InChI Key: FETFXNFGOYOOSP-UHFFFAOYSA-N
• Complexity: 22.9
• Covalently-Bonded Unit Count: 1
• EC Number: 213-946-6
• Exact Mass: 92.029586g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 5
• Monoisotopic Mass: 92.029586g/mol
• Rotatable Bond Count: 1
• XLogP3: 0.3

Custom Q&A

What is the molecular formula of 1-Mercapto-2-propanol?

The molecular formula of 1-Mercapto-2-propanol is C3H8OS.

What is the chemical structure of 1-Mercapto-2-propanol?

The chemical structure of 1-Mercapto-2-propanol is not provided in the reference.

What is the molecular weight of 1-Mercapto-2-propanol?

The molecular weight of 1-Mercapto-2-propanol is 92.16 g/mol.

What is the IUPAC name of 1-Mercapto-2-propanol?

The IUPAC name of 1-Mercapto-2-propanol is 1-sulfanylpropan-2-ol.

What is the InChI code of 1-Mercapto-2-propanol?

The InChI code of 1-Mercapto-2-propanol is InChI=1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3.

What is the InChIKey of 1-Mercapto-2-propanol?

The InChIKey of 1-Mercapto-2-propanol is FETFXNFGOYOOSP-UHFFFAOYSA-N.

What is the CAS number of 1-Mercapto-2-propanol?

The CAS number of 1-Mercapto-2-propanol is 1068-47-9.

What is the European Community (EC) number of 1-Mercapto-2-propanol?

The European Community (EC) number of 1-Mercapto-2-propanol is 213-946-6.

What is the XLogP3-AA value of 1-Mercapto-2-propanol?

The XLogP3-AA value of 1-Mercapto-2-propanol is 0.3.

Is 1-Mercapto-2-propanol a canonicalized compound?

Yes, 1-Mercapto-2-propanol is a canonicalized compound.