CAS
983-79-9 Purity
98%
983-79-9 Purity
98%
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3-Nitro-4-pyridinethiol
CAS
98382-93-5
Catalog Number
ACM98382935
Category
Other Products
Molecular Weight
156.162460 [g/mol]
Molecular Formula
C5H4N2O2S
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Specification
Synonyms
3-nitropyridine-4-thiol, 3-nitro-4-sulfanylpyridine, AJ-333/25006138, AC1LGD8S, 3-nitro-4-Pyridinethiol, 3-nitro-1H-pyridine-4-thione, AC1Q1X21, SCHEMBL7921682, CTK5I4164, WWDZCQQUTFWNQI-UHFFFAOYSA-N, SBB087151, AKOS009233588, DB-080514, EN300-59165, 98382-93-5
IUPAC Name
3-nitro-1H-pyridine-4-thione
Canonical SMILES
C1=CNC=C(C1=S)[N+](=O)[O-]
InChI Key
WWDZCQQUTFWNQI-UHFFFAOYSA-N
Exact Mass
155.99900
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 3-Nitro-4-pyridinethiol?
The molecular formula of 3-Nitro-4-pyridinethiol is C5H4N2O2S.
What is the synonym for 3-Nitro-4-pyridinethiol?
The synonym for 3-Nitro-4-pyridinethiol is 3-nitropyridine-4-thiol.
What is the molecular weight of 3-Nitro-4-pyridinethiol?
The molecular weight of 3-Nitro-4-pyridinethiol is 156.16 g/mol.
What is the IUPAC name of 3-Nitro-4-pyridinethiol?
The IUPAC name of 3-Nitro-4-pyridinethiol is 3-nitro-1H-pyridine-4-thione.
What is the InChI of 3-Nitro-4-pyridinethiol?
The InChI of 3-Nitro-4-pyridinethiol is InChI=1S/C5H4N2O2S/c8-7(9)4-3-6-2-1-5(4)10/h1-3H,(H,6,10).
What is the InChIKey of 3-Nitro-4-pyridinethiol?
The InChIKey of 3-Nitro-4-pyridinethiol is WWDZCQQUTFWNQI-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Nitro-4-pyridinethiol?
The canonical SMILES of 3-Nitro-4-pyridinethiol is C1=CNC=C(C1=S)[N+](=O)[O-].
What is the XLogP3-AA value of 3-Nitro-4-pyridinethiol?
The XLogP3-AA value of 3-Nitro-4-pyridinethiol is 0.8.
How many hydrogen bond donor counts are there in 3-Nitro-4-pyridinethiol?
There is 1 hydrogen bond donor count in 3-Nitro-4-pyridinethiol.
How many hydrogen bond acceptor counts are there in 3-Nitro-4-pyridinethiol?
There are 4 hydrogen bond acceptor counts in 3-Nitro-4-pyridinethiol.
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