CAS
98008-66-3 Purity
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98008-66-3 Purity
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6-Amino-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid amide
CAS
98011-28-0
Catalog Number
ACM98011280
Category
Other Products
Molecular Weight
248.304180 [g/mol]
Molecular Formula
C11H12N4OS
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Specification
Synonyms
ZINC03316849, CID2432024, 98011-28-0
IUPAC Name
(4R)-6-amino-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
InChI Key
RRSNXHHXTFXPDL-MRVPVSSYSA-N
Boiling Point
471.7ºC at 760mmHg
Flash Point
239.1ºC
Density
1.44g/cm³
Exact Mass
248.07300
H-Bond Acceptor
2
H-Bond Donor
4
What is the molecular formula of the compound with PubChem CID 3807994?
The molecular formula is C11H12N4OS.
When was the compound first created in PubChem?
The compound was first created on September 11, 2005.
What is the molecular weight of the compound?
The molecular weight is 248.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 6-amino-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the InChIKey of the compound?
The InChIKey is RRSNXHHXTFXPDL-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 4 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.3.
What is the formal charge of the compound?
The formal charge is 0.
Does the compound have any defined atom stereocenters?
No, the compound does not have any defined atom stereocenters.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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