3,3-bis(4-hydroxy-2,5-dimethylphenyl)-3H-2,1λ⁶-benzoxathiole-1,1-dione



Compound number:
MolPort-004-959-735
CAS number: 125-31-5
IUPAC:
3,3-bis(4-hydroxy-2,5-dimethylphenyl)-3H-2,1λ⁶-benzoxathiole-1,1-dione
IUPAC traditional:
xylenol blue
SMILES:
Cc1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)cc1C
InChI key:
MGUKYHHAGPFJMC-UHFFFAOYSA-N
Molecular formula:
C23H22O5S
Molecular weight: 410.48
Solubility: not available

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Supplier Catalogue Data


Catalog: Building blocks Ships out: 8 business days Purity: >95.0%(HPLC)
Last updated: 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
1 g December 16, 2020 34.00 USD
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5 g December 16, 2020 78.00 USD
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25 g December 16, 2020 190.00 USD
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S&H to USA: 80.00 USD
S&H to World: 100.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 7 business days Purity: ≥ 90% (Dye content)
Last updated: this month In warehouse: 250.00 g
Pack size Ships out Price Qty
5 g December 15, 2020 121.00 USD
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25 g December 15, 2020 257.00 USD
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100 g December 15, 2020 741.00 USD
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S&H to USA: 80.00 USD
S&H to World: 100.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 7 business days Purity: 95%
Last updated: last month In warehouse: 1000.00 g
Pack size Ships out Price Qty
1 g December 15, 2020 9.00 USD
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5 g December 15, 2020 23.00 USD
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25 g December 15, 2020 74.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-004-959-735
CAS number: 125-31-5

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004416670
MFCD00005870
3,3-bis(4-hydroxy-2,5-dimethylphenyl)benzo[c]1,2-oxathiolene-1,1-dione
Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,5-dimethyl-
p-Xylenol Blue

InChI
InChI: 1S/C23H22O5S/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28-23/h5-12,24-25H,1-4H3
InChI key: MGUKYHHAGPFJMC-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C23H22O5S
Molecular weight: 410.48

Other

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2020 MolPort, v4.05, release date 28-11-2020 20:00 (+0200). All rights reserved.
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