3-pyrazin-2-ylsulfanylbutan-1-ol

C8H12N2OS — CID 66138101

IUPAC3-pyrazin-2-ylsulfanylbutan-1-ol
SMILESCC(CCO)Sc1cnccn1
InChIInChI=1S/C8H12N2OS/c1-7(2-5-11)12-8-6-9-3-4-10-8/h3-4,6-7,11H,2,5H2,1H3
InChIKeyXNALJSBVTBDELF-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.34
Rot. Bonds4

About 3-pyrazin-2-ylsulfanylbutan-1-ol

3-pyrazin-2-ylsulfanylbutan-1-ol (PubChem CID 66138101) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-pyrazin-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-pyrazin-2-ylsulfanylbutan-1-ol
PubChem CID66138101
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-pyrazin-2-ylsulfanylbutan-1-ol
SMILESCC(CCO)Sc1cnccn1
InChIInChI=1S/C8H12N2OS/c1-7(2-5-11)12-8-6-9-3-4-10-8/h3-4,6-7,11H,2,5H2,1H3
InChIKeyXNALJSBVTBDELF-UHFFFAOYSA-N
XLogP1.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine
CID 64704450
5-(4-hydroxybutan-2-ylsulfanyl)pyrazine-2-carbonitrile
CID 66137864
2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine
CID 63381863
N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine
CID 63381220
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
3-(2-aminopyrimidin-4-yl)sulfanylbutan-1-ol
CID 80890575
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol
CID 114869444
3-(5-bromopyrimidin-2-yl)sulfanylbutan-1-ol
CID 66136090
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide
CID 64704753
3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 64928338
3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol
CID 112676076
1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine
CID 63380473

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-ylsulfanylbutan-1-ol?
The IUPAC name of 3-pyrazin-2-ylsulfanylbutan-1-ol (CID 66138101) is 3-pyrazin-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 3-pyrazin-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 3-pyrazin-2-ylsulfanylbutan-1-ol is CC(CCO)Sc1cnccn1.
What is the InChIKey of 3-pyrazin-2-ylsulfanylbutan-1-ol?
The InChIKey is XNALJSBVTBDELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-7(2-5-11)12-8-6-9-3-4-10-8/h3-4,6-7,11H,2,5H2,1H3.
What are the key properties of 3-pyrazin-2-ylsulfanylbutan-1-ol?
3-pyrazin-2-ylsulfanylbutan-1-ol has a molecular weight of 184.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 66138101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).