ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane

C6H14N2S — CID 176862469

IUPACethenyl-imino-methylimino-propan-2-yl-λ6-sulfane
SMILES[H]N=S(C=C)(=NC)C(C)C
InChIInChI=1S/C6H14N2S/c1-5-9(7,8-4)6(2)3/h5-7H,1H2,2-4H3
InChIKeyOMKPZMFYHAVDBR-UHFFFAOYSA-N
MW146.26 g/mol
LogP2.27
Rot. Bonds2

About ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane

ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane (PubChem CID 176862469) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane.

Molecular Properties

Compound Nameethenyl-imino-methylimino-propan-2-yl-λ6-sulfane
PubChem CID176862469
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Nameethenyl-imino-methylimino-propan-2-yl-λ6-sulfane
SMILES[H]N=S(C=C)(=NC)C(C)C
InChIInChI=1S/C6H14N2S/c1-5-9(7,8-4)6(2)3/h5-7H,1H2,2-4H3
InChIKeyOMKPZMFYHAVDBR-UHFFFAOYSA-N
XLogP2.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane?
The IUPAC name of ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane (CID 176862469) is ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane.
What is the SMILES notation for ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane?
The canonical SMILES for ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane is [H]N=S(C=C)(=NC)C(C)C.
What is the InChIKey of ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane?
The InChIKey is OMKPZMFYHAVDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-5-9(7,8-4)6(2)3/h5-7H,1H2,2-4H3.
What are the key properties of ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane?
ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane has a molecular weight of 146.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-imino-methylimino-propan-2-yl-λ6-sulfane is sourced from PubChem (CID 176862469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).