phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate

C10H12N4OS — CID 14198761

IUPACphenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate
SMILES[H]N=S(C)(C)=N/C(=N\C#N)Oc1ccccc1
InChIInChI=1S/C10H12N4OS/c1-16(2,12)14-10(13-8-11)15-9-6-4-3-5-7-9/h3-7,12H,1-2H3/b13-10+
InChIKeyIDWZWQGESQLSRM-JLHYYAGUSA-N
MW236.30 g/mol
LogP2.26
Rot. Bonds1

About phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate

phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate (PubChem CID 14198761) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate.

Molecular Properties

Compound Namephenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate
PubChem CID14198761
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Namephenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate
SMILES[H]N=S(C)(C)=N/C(=N\C#N)Oc1ccccc1
InChIInChI=1S/C10H12N4OS/c1-16(2,12)14-10(13-8-11)15-9-6-4-3-5-7-9/h3-7,12H,1-2H3/b13-10+
InChIKeyIDWZWQGESQLSRM-JLHYYAGUSA-N
XLogP2.26
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate?
The IUPAC name of phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate (CID 14198761) is phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate.
What is the SMILES notation for phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate?
The canonical SMILES for phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate is [H]N=S(C)(C)=N/C(=N\C#N)Oc1ccccc1.
What is the InChIKey of phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate?
The InChIKey is IDWZWQGESQLSRM-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-16(2,12)14-10(13-8-11)15-9-6-4-3-5-7-9/h3-7,12H,1-2H3/b13-10+.
What are the key properties of phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate?
phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate has a molecular weight of 236.30 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N'-cyano-N-[imino(dimethyl)-lambda6-sulfanylidene]carbamimidate is sourced from PubChem (CID 14198761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).