ethylbenzene;oxalonitrile;sulfane

C10H12N2S — CID 174327250

IUPACethylbenzene;oxalonitrile;sulfane
SMILESCCc1ccccc1.N#CC#N.S
InChIInChI=1S/C8H10.C2N2.H2S/c1-2-8-6-4-3-5-7-8;3-1-2-4;/h3-7H,2H2,1H3;;1H2
InChIKeyAHOSXVBYOQKZCR-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.40
Rot. Bonds1

About ethylbenzene;oxalonitrile;sulfane

ethylbenzene;oxalonitrile;sulfane (PubChem CID 174327250) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is ethylbenzene;oxalonitrile;sulfane.

Molecular Properties

Compound Nameethylbenzene;oxalonitrile;sulfane
PubChem CID174327250
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Nameethylbenzene;oxalonitrile;sulfane
SMILESCCc1ccccc1.N#CC#N.S
InChIInChI=1S/C8H10.C2N2.H2S/c1-2-8-6-4-3-5-7-8;3-1-2-4;/h3-7H,2H2,1H3;;1H2
InChIKeyAHOSXVBYOQKZCR-UHFFFAOYSA-N
XLogP2.40
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;oxalonitrile;sulfane?
The IUPAC name of ethylbenzene;oxalonitrile;sulfane (CID 174327250) is ethylbenzene;oxalonitrile;sulfane.
What is the SMILES notation for ethylbenzene;oxalonitrile;sulfane?
The canonical SMILES for ethylbenzene;oxalonitrile;sulfane is CCc1ccccc1.N#CC#N.S.
What is the InChIKey of ethylbenzene;oxalonitrile;sulfane?
The InChIKey is AHOSXVBYOQKZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2N2.H2S/c1-2-8-6-4-3-5-7-8;3-1-2-4;/h3-7H,2H2,1H3;;1H2.
What are the key properties of ethylbenzene;oxalonitrile;sulfane?
ethylbenzene;oxalonitrile;sulfane has a molecular weight of 192.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;oxalonitrile;sulfane is sourced from PubChem (CID 174327250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).