CAS
96591-13-8 Purity
96%
96591-13-8 Purity
96%
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5-Nitro-2-pyridinyl ester carbamimidothioic acid
CAS
96592-03-9
Catalog Number
ACM96592039
Category
Other Products
Molecular Weight
198.202440 [g/mol]
Molecular Formula
C6H6N4O2S
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Specification
Synonyms
5-Nitro-2-pyridinyl ester carbamimidothioic acid, (5-nitro(2-pyridyl))thiocarboxamidine, 96592-03-9, MolPort-004-801-602, SBB072117, AKOS006280191, MCULE-4268088241, AC-14955, KB-43881, FT-0692797, ST45027474
IUPAC Name
(5-nitropyridin-2-yl) carbamimidothioate
Canonical SMILES
C1=CC(=NC=C1[N+](=O)[O-])SC(=N)N
InChI Key
TZZIFXUSGCBWBR-UHFFFAOYSA-N
Boiling Point
392.3ºC at 760mmHg
Flash Point
191.1ºC
Density
1.66g/cm³
Exact Mass
198.02100
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of 5-Nitro-2-pyridinyl ester carbamimidothioic acid?
The molecular formula is C6H6N4O2S.
When was 5-Nitro-2-pyridinyl ester carbamimidothioic acid created in PubChem?
It was created on May 28, 2009.
What is the molecular weight of 5-Nitro-2-pyridinyl ester carbamimidothioic acid?
The molecular weight is 198.21 g/mol.
What is the IUPAC Name of 5-Nitro-2-pyridinyl ester carbamimidothioic acid?
The IUPAC Name is (5-nitropyridin-2-yl) carbamimidothioate.
What is the InChIKey of 5-Nitro-2-pyridinyl ester carbamimidothioic acid?
The InChIKey is TZZIFXUSGCBWBR-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 5-Nitro-2-pyridinyl ester carbamimidothioic acid have?
It has 2 hydrogen bond donor counts.
What is the exact mass of 5-Nitro-2-pyridinyl ester carbamimidothioic acid?
The exact mass is 198.02114662 g/mol.
How many rotatable bond counts does 5-Nitro-2-pyridinyl ester carbamimidothioic acid have?
It has 2 rotatable bond counts.
Is 5-Nitro-2-pyridinyl ester carbamimidothioic acid a canonicalized compound?
Yes, it is a canonicalized compound.
What is the topological polar surface area of 5-Nitro-2-pyridinyl ester carbamimidothioic acid?
The topological polar surface area is 134Ų.
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