CAS
93856-91-8 Purity
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93856-91-8 Purity
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1-(3,4-Dichlorophenyl)-3-[3-[(trifluoromethyl)thio]phenyl]urea
CAS
93856-96-3
Catalog Number
ACM93856963
Category
Other Products
Molecular Weight
381.200270 [g/mol]
Molecular Formula
C14H9Cl2F3N2OS
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Specification
Synonyms
93856-96-3, 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea, 1-(3,4-DICHLOROPHENYL)-3-[3-[(TRIFLUOROMETHYL)THIO]PHENYL]UREA, EINECS 299-131-6, AC1MIDL7, CTK5H3538, AG-H-84234, 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
IUPAC Name
1-(3,4-dichlorophenyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
SMILES
C1=CC(=CC(=C1)SC(F)(F)F)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI Key
HMYXMPYYJLJTFD-UHFFFAOYSA-N
Boiling Point
319.9ºC at 760 mmHg
Flash Point
147.3ºC
Density
1.54g/cm³
EC Number
299-131-6
Exact Mass
379.97600
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 3022663?
The molecular formula is C14H9Cl2F3N2OS.
What are some synonyms for the compound with PubChem CID 3022663?
Some synonyms include 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea and EINECS 299-131-6.
When was the compound with PubChem CID 3022663 created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of the compound with PubChem CID 3022663?
The IUPAC name is 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea.
What is the InChIKey of the compound with PubChem CID 3022663?
The InChIKey is HMYXMPYYJLJTFD-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound with PubChem CID 3022663 have?
It has 2 hydrogen bond donor counts.
What is the exact mass of the compound with PubChem CID 3022663?
The exact mass is 379.9764740 g/mol.
How many rotatable bond counts does the compound with PubChem CID 3022663 have?
It has 3 rotatable bond counts.
What is the topological polar surface area of the compound with PubChem CID 3022663?
The topological polar surface area is 66.4 Ų.
Is the compound with PubChem CID 3022663 canonicalized?
Yes, the compound is canonicalized according to PubChem.
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