CAS
89891-70-3 Purity
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89891-70-3 Purity
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5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine
CAS
89894-30-4
Catalog Number
ACM89894304
Category
Other Products
Molecular Weight
211.67
Molecular Formula
C8H6ClN3S
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Specification
Synonyms
1,2,4-THIADIAZOL-3-AMINE, 5-(4-CHLOROPHENYL)-;5-(4-CHLOROPHENYL)-1,2,4-THIADIAZOL-3-AMINE;5-(4-CHLOROPHENYL)-1,2,4-THIADIAZOL-3-YLAMINE
IUPAC Name
5-(4-chlorophenyl)-1,2,4-thiadiazol-3-amine
Canonical SMILES
C1=CC(=CC=C1C2=NC(=NS2)N)Cl
InChI Key
XVSZVIZTUWVCFL-UHFFFAOYSA-N
Boiling Point
383.9ºC at 760 mmHg
Flash Point
186ºC
Density
1.461g/cm³
Exact Mass
210.99700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine?
The molecular formula is C8H6ClN3S.
When was 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine first created on PubChem?
It was first created on July 19, 2005.
What is the computed IUPAC name of 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine?
The computed IUPAC name is 5-(4-chlorophenyl)-1,2,4-thiadiazol-3-amine.
What is the InChIKey of 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is XVSZVIZTUWVCFL-UHFFFAOYSA-N.
How many hydrogen bond donor count does 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine?
The topological polar surface area is 80 Ų.
Is 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine a canonicalized compound?
Yes, the compound is canonicalized.
What is the computed molecular weight of 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine?
The computed molecular weight is 211.67 g/mol.
How many rotatable bond count does 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine have?
It has 1 rotatable bond count.
What is the complexity value of 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine?
The complexity value is 173.
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