CAS
91771-51-6 Purity
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91771-51-6 Purity
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m-(1,2,3,4-Thiatriazol-5-ylamino)benzenesulfonamide
CAS
91772-19-9
Catalog Number
ACM91772199
Category
Other Products
Molecular Weight
257.292780 [g/mol]
Molecular Formula
C7H7N5O2S2
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Specification
Synonyms
EINECS 294-989-8, CID11971085, m-(1,2,3,4-Thiatriazol-5-ylamino)benzenesulphonamide, 91772-19-9
IUPAC Name
3-(thiatriazol-5-ylamino)benzenesulfonamide
Canonical SMILES
C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NN=NS2
InChI Key
HAFIWJCIEXADLM-UHFFFAOYSA-N
Boiling Point
490.7ºC at 760mmHg
Flash Point
250.6ºC
Density
1.675g/cm³
EC Number
294-989-8
Exact Mass
257.00400
H-Bond Acceptor
7
H-Bond Donor
2
What is the molecular formula of m-(1,2,3,4-Thiatriazol-5-ylamino)benzenesulfonamide?
The molecular formula is C7H7N5O2S2.
When was the compound created and last modified?
The compound was created on December 27, 2006, and last modified on December 30, 2023.
What is the IUPAC name of m-(1,2,3,4-Thiatriazol-5-ylamino)benzenesulfonamide?
The IUPAC name is 3-(thiatriazol-5-ylamino)benzenesulfonamide.
What is the InChIKey of the compound?
The InChIKey is HAFIWJCIEXADLM-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of m-(1,2,3,4-Thiatriazol-5-ylamino)benzenesulfonamide?
The XLogP3-AA value is 0.8.
What is the exact mass of the compound?
The exact mass is 257.00411683 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 8 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 148 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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91772-29-1 Purity
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CAS
91772-41-7 Purity
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91772-41-7 Purity
96%
