2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine

C8H13N3S — CID 146669702

IUPAC2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine
SMILESC=C/N=C(\N=C)N(C)/C=C(\C)S
InChIInChI=1S/C8H13N3S/c1-5-10-8(9-3)11(4)6-7(2)12/h5-6,12H,1,3H2,2,4H3/b7-6+,10-8+
InChIKeyOPSSZKDQINAWKB-LQPGMRSMSA-N
MW183.28 g/mol
LogP1.91
Rot. Bonds2

About 2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine

2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine (PubChem CID 146669702) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine.

Molecular Properties

Compound Name2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine
PubChem CID146669702
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine
SMILESC=C/N=C(\N=C)N(C)/C=C(\C)S
InChIInChI=1S/C8H13N3S/c1-5-10-8(9-3)11(4)6-7(2)12/h5-6,12H,1,3H2,2,4H3/b7-6+,10-8+
InChIKeyOPSSZKDQINAWKB-LQPGMRSMSA-N
XLogP1.91
TPSA27.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine?
The IUPAC name of 2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine (CID 146669702) is 2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine.
What is the SMILES notation for 2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine?
The canonical SMILES for 2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine is C=C/N=C(\N=C)N(C)/C=C(\C)S.
What is the InChIKey of 2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine?
The InChIKey is OPSSZKDQINAWKB-LQPGMRSMSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5-10-8(9-3)11(4)6-7(2)12/h5-6,12H,1,3H2,2,4H3/b7-6+,10-8+.
What are the key properties of 2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine?
2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine has a molecular weight of 183.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methyl-3-methylidene-1-[(E)-2-sulfanylprop-1-enyl]guanidine is sourced from PubChem (CID 146669702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).