2-pyrazin-2-ylsulfanylbenzonitrile

C11H7N3S — CID 63380568

IUPAC2-pyrazin-2-ylsulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1cnccn1
InChIInChI=1S/C11H7N3S/c12-7-9-3-1-2-4-10(9)15-11-8-13-5-6-14-11/h1-6,8H
InChIKeyYWKZXTWQJCEDGK-UHFFFAOYSA-N
MW213.26 g/mol
LogP2.50
Rot. Bonds2

About 2-pyrazin-2-ylsulfanylbenzonitrile

2-pyrazin-2-ylsulfanylbenzonitrile (PubChem CID 63380568) has the molecular formula C11H7N3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-pyrazin-2-ylsulfanylbenzonitrile.

Molecular Properties

Compound Name2-pyrazin-2-ylsulfanylbenzonitrile
PubChem CID63380568
Molecular FormulaC11H7N3S
Molecular Weight213.26 g/mol
Exact Mass213.04
IUPAC Name2-pyrazin-2-ylsulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1cnccn1
InChIInChI=1S/C11H7N3S/c12-7-9-3-1-2-4-10(9)15-11-8-13-5-6-14-11/h1-6,8H
InChIKeyYWKZXTWQJCEDGK-UHFFFAOYSA-N
XLogP2.50
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-iodophenyl)sulfanylpyrazine
CID 14689443
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943753
2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 154037897
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol
CID 78951685
6-methyl-2-pyrazin-2-ylsulfanylpyridine-3-carbonitrile
CID 63380705
4-pyrazin-2-ylsulfanylnaphthalen-1-ol
CID 112596159
2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile
CID 54276832
5-methyl-2-pyridin-2-ylsulfanylbenzonitrile
CID 107930929
2-(2-chlorophenyl)sulfanylbenzonitrile
CID 15643699
N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63380899
3-chloro-4-pyrazin-2-ylsulfanylbenzoic acid
CID 63514210
4-fluoro-3-pyrazin-2-ylsulfanylbenzoic acid
CID 80557178

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylsulfanylbenzonitrile?
The IUPAC name of 2-pyrazin-2-ylsulfanylbenzonitrile (CID 63380568) is 2-pyrazin-2-ylsulfanylbenzonitrile.
What is the SMILES notation for 2-pyrazin-2-ylsulfanylbenzonitrile?
The canonical SMILES for 2-pyrazin-2-ylsulfanylbenzonitrile is N#Cc1ccccc1Sc1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylsulfanylbenzonitrile?
The InChIKey is YWKZXTWQJCEDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3S/c12-7-9-3-1-2-4-10(9)15-11-8-13-5-6-14-11/h1-6,8H.
What are the key properties of 2-pyrazin-2-ylsulfanylbenzonitrile?
2-pyrazin-2-ylsulfanylbenzonitrile has a molecular weight of 213.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylsulfanylbenzonitrile is sourced from PubChem (CID 63380568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).