(5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride

C7H7ClN4S — CID 131868951

IUPAC(5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride
SMILESCl.[H]/N=C(\N)Sc1ccc(C#N)cn1
InChIInChI=1S/C7H6N4S.ClH/c8-3-5-1-2-6(11-4-5)12-7(9)10;/h1-2,4H,(H3,9,10);1H
InChIKeyKWVWRLOYOXAVTQ-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.36
Rot. Bonds1

About (5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride

(5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride (PubChem CID 131868951) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is (5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride.

Molecular Properties

Compound Name(5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride
PubChem CID131868951
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name(5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride
SMILESCl.[H]/N=C(\N)Sc1ccc(C#N)cn1
InChIInChI=1S/C7H6N4S.ClH/c8-3-5-1-2-6(11-4-5)12-7(9)10;/h1-2,4H,(H3,9,10);1H
InChIKeyKWVWRLOYOXAVTQ-UHFFFAOYSA-N
XLogP1.36
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-cyano-2-pyridinyl) carbamimidothioate
CID 130899404
(5-nitro-2-pyridinyl) carbamimidothioate;hydrochloride
CID 132889594
(5-cyano-2-pyridinyl) thiohypochlorite
CID 143667938
6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile
CID 104576652
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 47150238
6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile
CID 79325722
6-(2-bromophenyl)sulfanylpyridine-3-carbonitrile
CID 43236174
5-cyanopyridine-2-sulfonamide
CID 22113934
5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
CID 63942215
6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile
CID 62996428
5-cyanopyridine-3-carboximidamide;hydrochloride
CID 133058450
3,4-di(ethanimidoyl)benzonitrile
CID 147563554

Frequently Asked Questions

What is the IUPAC name of (5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride?
The IUPAC name of (5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride (CID 131868951) is (5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride.
What is the SMILES notation for (5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride?
The canonical SMILES for (5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride is Cl.[H]/N=C(\N)Sc1ccc(C#N)cn1.
What is the InChIKey of (5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride?
The InChIKey is KWVWRLOYOXAVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S.ClH/c8-3-5-1-2-6(11-4-5)12-7(9)10;/h1-2,4H,(H3,9,10);1H.
What are the key properties of (5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride?
(5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride has a molecular weight of 214.68 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride is sourced from PubChem (CID 131868951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).