CAS
94087-48-6 Purity
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94087-48-6 Purity
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5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one
CAS
94087-59-9
Catalog Number
ACM94087599
Category
Other Products
Molecular Weight
172.208220 [g/mol]
Molecular Formula
C5H8N4OS
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Specification
Synonyms
EINECS 301-951-7, CID11971258, 5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one, 94087-59-9
IUPAC Name
5-methyl-4-(methylamino)-6-sulfanylidene-1,3,5-triazin-2-one
SMILES
CNC1=NC(=O)NC(=S)N1C
InChI Key
BYOYDHDHEZRAKM-UHFFFAOYSA-N
Density
1.51g/cm³
EC Number
301-951-7
Exact Mass
172.04200
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of 5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one?
The molecular formula is C5H8N4OS.
What is the molecular weight of 5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one?
The molecular weight is 172.21 g/mol.
What is the IUPAC name of 5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one?
The IUPAC name is 5-methyl-4-(methylamino)-6-sulfanylidene-1,3,5-triazin-2-one.
What is the InChI key of 5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one?
The InChI key is BYOYDHDHEZRAKM-UHFFFAOYSA-N.
What is the Canonical SMILES notation of 5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one?
The Canonical SMILES notation is CNC1=NC(=O)NC(=S)N1C.
What is the CAS number for 5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one?
The CAS number is 94087-59-9.
What is the XLogP3-AA value of 5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one?
The XLogP3-AA value is -0.3.
How many hydrogen bond donor counts are there in 5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one?
There are 2 hydrogen bond donor counts.
What is the exact mass of 5,6-Dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one?
The exact mass is 172.04188206 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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