2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol

C9H14N2OS — CID 127002734

IUPAC2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol
SMILESCSC(C)(C)C(O)c1cnccn1
InChIInChI=1S/C9H14N2OS/c1-9(2,13-3)8(12)7-6-10-4-5-11-7/h4-6,8,12H,1-3H3
InChIKeyDTHBRTLBYKZZIA-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.65
Rot. Bonds3

About 2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol

2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol (PubChem CID 127002734) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol
PubChem CID127002734
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol
SMILESCSC(C)(C)C(O)c1cnccn1
InChIInChI=1S/C9H14N2OS/c1-9(2,13-3)8(12)7-6-10-4-5-11-7/h4-6,8,12H,1-3H3
InChIKeyDTHBRTLBYKZZIA-UHFFFAOYSA-N
XLogP1.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol
CID 130506995
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol
CID 79064252
2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol
CID 79062480
2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol
CID 116752667
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108
N,4,4-trimethyl-1-pyrazin-2-ylpentan-1-amine
CID 62601001
4-pyrazin-2-ylbutane-1,1,1,4-tetrol
CID 87881315
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
3-methoxy-1-pyrazin-2-ylpropan-1-ol
CID 62608017
(1S)-3-amino-1-pyrazin-2-ylpropan-1-ol
CID 96734232
1-adamantyl(pyrazin-2-yl)methanol
CID 63968595
1-pyrazin-2-ylethylphosphane
CID 59073972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol?
The IUPAC name of 2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol (CID 127002734) is 2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol?
The canonical SMILES for 2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol is CSC(C)(C)C(O)c1cnccn1.
What is the InChIKey of 2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol?
The InChIKey is DTHBRTLBYKZZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(2,13-3)8(12)7-6-10-4-5-11-7/h4-6,8,12H,1-3H3.
What are the key properties of 2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol?
2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol has a molecular weight of 198.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol is sourced from PubChem (CID 127002734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).