CAS
926927-42-6 Purity
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926927-42-6 Purity
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Metallibure
CAS
926-93-2
Catalog Number
ACM926932
Category
Other Products
Molecular Weight
218.342860 [g/mol]
Molecular Formula
C7H14N4S2
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Specification
Synonyms
Methallibur; Match; Metallibure; hydrazine-N,N-dicarbothioic acid methylamide 1-methyl-allylamide; Aimax; Suisynchron; Methallibure; Almax; 1-Methyl-6-(1-methallyl)-2,5-dithio-bi-harnstoff; Turisynchron;
IUPAC Name
1-but-3-en-2-yl-3-(methylcarbamothioylamino)thiourea
Canonical SMILES
CC(C=C)NC(=S)NNC(=S)NC
InChI Key
CGFFKDRVHZIQHL-UHFFFAOYSA-N
Boiling Point
288.2ºC at 760 mmHg
Flash Point
128.1ºC
Density
1.181 g/cm³
EC Number
213-146-7
Exact Mass
218.06600
H-Bond Acceptor
0
H-Bond Donor
4
What is the molecular formula of Metallibure?
The molecular formula of Metallibure is C7H14N4S2.
When was Metallibure created and last modified in the PubChem database?
Metallibure was created on 2005-03-26 and last modified on 2023-12-30.
What is the molecular weight of Metallibure?
The molecular weight of Metallibure is 218.3 g/mol.
What is the IUPAC name of Metallibure?
The IUPAC name of Metallibure is 1-but-3-en-2-yl-3-(methylcarbamothioylamino)thiourea.
What is the Canonical SMILES representation of Metallibure?
The Canonical SMILES representation of Metallibure is CC(C=C)NC(=S)NNC(=S)NC.
What is the CAS number for Metallibure?
The CAS number for Metallibure is 926-93-2.
How many hydrogen bond donor counts does Metallibure have?
Metallibure has 4 hydrogen bond donor counts.
What is the topological polar surface area of Metallibure?
The topological polar surface area of Metallibure is 112 Ų.
Does Metallibure have any defined atom stereocenter count?
No, Metallibure does not have any defined atom stereocenter count.
What is the formal charge of Metallibure?
The formal charge of Metallibure is 0.
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CAS
926934-01-2 Purity
96%
926934-01-2 Purity
96%
