2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen

C10H22N2S — CID 142227679

IUPAC2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen
SMILESCC.N#CC(N)CC1CCSCC1.[H][H]
InChIInChI=1S/C8H14N2S.C2H6.H2/c9-6-8(10)5-7-1-3-11-4-2-7;1-2;/h7-8H,1-5,10H2;1-2H3;1H
InChIKeyTUKNECAEECNAPK-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.64
Rot. Bonds2

About 2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen

2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen (PubChem CID 142227679) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen
PubChem CID142227679
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen
SMILESCC.N#CC(N)CC1CCSCC1.[H][H]
InChIInChI=1S/C8H14N2S.C2H6.H2/c9-6-8(10)5-7-1-3-11-4-2-7;1-2;/h7-8H,1-5,10H2;1-2H3;1H
InChIKeyTUKNECAEECNAPK-UHFFFAOYSA-N
XLogP2.64
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen?
The IUPAC name of 2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen (CID 142227679) is 2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen.
What is the SMILES notation for 2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen?
The canonical SMILES for 2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen is CC.N#CC(N)CC1CCSCC1.[H][H].
What is the InChIKey of 2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen?
The InChIKey is TUKNECAEECNAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S.C2H6.H2/c9-6-8(10)5-7-1-3-11-4-2-7;1-2;/h7-8H,1-5,10H2;1-2H3;1H.
What are the key properties of 2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen?
2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen has a molecular weight of 202.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(thian-4-yl)propanenitrile;ethane;molecular hydrogen is sourced from PubChem (CID 142227679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).