methyl-[(E)-prop-1-enyl]sulfanyldiazene

C4H8N2S — CID 90370989

IUPACmethyl-[(E)-prop-1-enyl]sulfanyldiazene
SMILESC/C=C/S/N=N/C
InChIInChI=1S/C4H8N2S/c1-3-4-7-6-5-2/h3-4H,1-2H3/b4-3+,6-5+
InChIKeyACOBCNNDNLLHGR-VNKDHWASSA-N
MW116.19 g/mol
LogP2.25
Rot. Bonds2

About methyl-[(E)-prop-1-enyl]sulfanyldiazene

methyl-[(E)-prop-1-enyl]sulfanyldiazene (PubChem CID 90370989) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is methyl-[(E)-prop-1-enyl]sulfanyldiazene.

Molecular Properties

Compound Namemethyl-[(E)-prop-1-enyl]sulfanyldiazene
PubChem CID90370989
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Namemethyl-[(E)-prop-1-enyl]sulfanyldiazene
SMILESC/C=C/S/N=N/C
InChIInChI=1S/C4H8N2S/c1-3-4-7-6-5-2/h3-4H,1-2H3/b4-3+,6-5+
InChIKeyACOBCNNDNLLHGR-VNKDHWASSA-N
XLogP2.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[(E)-prop-1-enyl]sulfanyldiazene?
The IUPAC name of methyl-[(E)-prop-1-enyl]sulfanyldiazene (CID 90370989) is methyl-[(E)-prop-1-enyl]sulfanyldiazene.
What is the SMILES notation for methyl-[(E)-prop-1-enyl]sulfanyldiazene?
The canonical SMILES for methyl-[(E)-prop-1-enyl]sulfanyldiazene is C/C=C/S/N=N/C.
What is the InChIKey of methyl-[(E)-prop-1-enyl]sulfanyldiazene?
The InChIKey is ACOBCNNDNLLHGR-VNKDHWASSA-N. The full InChI is InChI=1S/C4H8N2S/c1-3-4-7-6-5-2/h3-4H,1-2H3/b4-3+,6-5+.
What are the key properties of methyl-[(E)-prop-1-enyl]sulfanyldiazene?
methyl-[(E)-prop-1-enyl]sulfanyldiazene has a molecular weight of 116.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(E)-prop-1-enyl]sulfanyldiazene is sourced from PubChem (CID 90370989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).