ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen

C10H22N2S — CID 144709115

IUPACethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen
SMILESCC.CCSc1[nH]ncc1C(C)C.[H][H]
InChIInChI=1S/C8H14N2S.C2H6.H2/c1-4-11-8-7(6(2)3)5-9-10-8;1-2;/h5-6H,4H2,1-3H3,(H,9,10);1-2H3;1H
InChIKeyBNKAKSGGRDXYBW-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.92
Rot. Bonds3

About ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen

ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen (PubChem CID 144709115) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen.

Molecular Properties

Compound Nameethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen
PubChem CID144709115
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Nameethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen
SMILESCC.CCSc1[nH]ncc1C(C)C.[H][H]
InChIInChI=1S/C8H14N2S.C2H6.H2/c1-4-11-8-7(6(2)3)5-9-10-8;1-2;/h5-6H,4H2,1-3H3,(H,9,10);1-2H3;1H
InChIKeyBNKAKSGGRDXYBW-UHFFFAOYSA-N
XLogP3.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen?
The IUPAC name of ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen (CID 144709115) is ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen.
What is the SMILES notation for ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen?
The canonical SMILES for ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen is CC.CCSc1[nH]ncc1C(C)C.[H][H].
What is the InChIKey of ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen?
The InChIKey is BNKAKSGGRDXYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S.C2H6.H2/c1-4-11-8-7(6(2)3)5-9-10-8;1-2;/h5-6H,4H2,1-3H3,(H,9,10);1-2H3;1H.
What are the key properties of ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen?
ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen has a molecular weight of 202.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen is sourced from PubChem (CID 144709115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).