CAS
91713-47-2 Purity
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91713-47-2 Purity
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Thio-carbamisin
CAS
91-71-4
Catalog Number
ACM91714
Category
Other Products
Molecular Weight
516.422 g/mol
Molecular Formula
C21H17AsN2O5S2
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What is the molecular formula of Thio-carbamisin?
The molecular formula of Thio-carbamisin is C21H17AsN2O5S2.
What is the molecular weight of Thio-carbamisin?
The molecular weight of Thio-carbamisin is 516.4 g/mol.
What is the IUPAC name of Thio-carbamisin?
The IUPAC name of Thio-carbamisin is 2-[[4-(carbamoylamino)phenyl]-(2-carboxyphenyl)sulfanylarsanyl]sulfanylbenzoic acid.
What is the InChI of Thio-carbamisin?
The InChI of Thio-carbamisin is InChI=1S/C21H17AsN2O5S2/c23-21(29)24-14-11-9-13(10-12-14)22(30-17-7-3-1-5-15(17)19(25)26)31-18-8-4-2-6-16(18)20(27)28/h1-12H,(H,25,26)(H,27,28)(H3,23,24,29).
What is the InChIKey of Thio-carbamisin?
The InChIKey of Thio-carbamisin is HVHVTGIAAGQNOB-UHFFFAOYSA-N.
What is the canonical SMILES of Thio-carbamisin?
The canonical SMILES of Thio-carbamisin is C1=CC=C(C(=C1)C(=O)O)S[As](C2=CC=C(C=C2)NC(=O)N)SC3=CC=CC=C3C(=O)O.
What is the CAS number of Thio-carbamisin?
The CAS number of Thio-carbamisin is 91-71-4.
What is the UNII of Thio-carbamisin?
The UNII of Thio-carbamisin is J1180JH294.
What is the DSSTox Substance ID of Thio-carbamisin?
The DSSTox Substance ID of Thio-carbamisin is DTXSID90238355.
Is Thio-carbamisin a canonicalized compound?
Yes, Thio-carbamisin is a canonicalized compound.
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