1,4-Benzenedimethanethiol

• CAS: 105-09-9
• Catalog Number: ACM105099
• Category: Biomaterials
• Molecular Weight: 170.3g/mol
• Molecular Formula: C8H10S2
• Synonyms: 1,4-Benzenebis(methanethiol);4-(Sulfanylmethyl)benzyl hydrosulfide;alpha,alpha-p-Xylenedithiol;p-Xylene-alpha,alpha-dithiol;1,4-BIS(MERCAPTOMETHYL)BENZENE;1,4-BENZENEDIMETHANETHIOL;ALPHA,ALPHA-DIMERCAPTO-P-XYLENE;P-XYLYLENEDITHIOL
• IUPAC Name: [4-(sulfanylmethyl)phenyl]methanethiol
• Canonical SMILES: C1=CC(=CC=C1CS)CS
• InChI: InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
• InChI Key: IYPNRTQAOXLCQW-UHFFFAOYSA-N
• Complexity: 73.3
• Covalently-Bonded Unit Count: 1
• EC Number: 203-269-4
• Exact Mass: 170.022393g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 170.022393g/mol
• NSC Number: 72094
• Rotatable Bond Count: 2
• UNII: K48UBZ9IMD
• XLogP3: 2.1

Custom Q&A

What is the molecular formula of 1,4-Benzenedimethanethiol?

The molecular formula is C8H10S2.

What is the molecular weight of 1,4-Benzenedimethanethiol?

The molecular weight is 170.3 g/mol.

What is the IUPAC name of 1,4-Benzenedimethanethiol?

The IUPAC name is [4-(sulfanylmethyl)phenyl]methanethiol.

What is the InChI of 1,4-Benzenedimethanethiol?

The InChI is InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2.

What is the InChIKey of 1,4-Benzenedimethanethiol?

The InChIKey is IYPNRTQAOXLCQW-UHFFFAOYSA-N.

What is the canonical SMILES of 1,4-Benzenedimethanethiol?

The canonical SMILES is C1=CC(=CC=C1CS)CS.

What is the CAS number of 1,4-Benzenedimethanethiol?

The CAS number is 105-09-9.

What is the European Community (EC) number of 1,4-Benzenedimethanethiol?

The European Community (EC) number is 203-269-4.

What is the UNII of 1,4-Benzenedimethanethiol?

The UNII is K48UBZ9IMD.

Is 1,4-Benzenedimethanethiol a canonicalized compound?

Yes, 1,4-Benzenedimethanethiol is a canonicalized compound.