3-Methylthio-1,2,4-triazine

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Catalog Number
ACM28735219
Product Name
3-Methylthio-1,2,4-triazine
Structure
Structure
CAS
28735-21-9
Category
Heterocyclic Organic Compound
Synonyms
METHYL 1,2,4-TRIAZIN-3-YL SULFIDE;3-METHYLTHIO-1,2,4-TRIAZINE
IUPAC Name
3-methylsulfanyl-1,2,4-triazine
Molecular Weight
127.17g/mol
Molecular Formula
C4H5N3S
Canonical SMILES
CSC1=NC=CN=N1
InChI
InChI=1S/C4H5N3S/c1-8-4-5-2-3-6-7-4/h2-3H,1H3
InChI Key
NFHGWQLAJYTULJ-UHFFFAOYSA-N
Density
1.28 g/cm³
Complexity
68.3
Covalently-Bonded Unit Count
1
Exact Mass
127.020418g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
8
Monoisotopic Mass
127.020418g/mol
NSC Number
276290
Rotatable Bond Count
1
XLogP3
0
MSDS
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COA
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Spec Sheet
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