CAS 105-09-9 1,4-Benzenedimethanethiol - Materials / Alfa Chemistry

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1,4-Benzenedimethanethiol

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Catalog Number

ACM105099

CAS Number

105-09-9

Product Name

1,4-Benzenedimethanethiol

Structure

Category

Self-Assembly Materials

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

Molecular Weight

170.3g/mol

Molecular Formula

C8H10S2

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

Purity

MP 117-119deg

Complexity

73.3

Covalently-Bonded Unit Count

EC Number

203-269-4

Exact Mass

170.022393g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

1,3-benzenedimethanethiol;1,4-benzenedimethanethiol

Monoisotopic Mass

170.022393g/mol

NSC Number

72094

Rotatable Bond Count

UNII

K48UBZ9IMD

XLogP3

2.1

MSDS

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COA

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Spec Sheet

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