methyl(methylsulfanyl)cyanamide

C3H6N2S — CID 141410976

IUPACmethyl(methylsulfanyl)cyanamide
SMILESCSN(C)C#N
InChIInChI=1S/C3H6N2S/c1-5(3-4)6-2/h1-2H3
InChIKeyXXRRWLVFIDRNHI-UHFFFAOYSA-N
MW102.16 g/mol
LogP0.68
Rot. Bonds1

About methyl(methylsulfanyl)cyanamide

methyl(methylsulfanyl)cyanamide (PubChem CID 141410976) has the molecular formula C3H6N2S and a molecular weight of 102.16 g/mol. Its IUPAC name is methyl(methylsulfanyl)cyanamide.

Molecular Properties

Compound Namemethyl(methylsulfanyl)cyanamide
PubChem CID141410976
Molecular FormulaC3H6N2S
Molecular Weight102.16 g/mol
Exact Mass102.03
IUPAC Namemethyl(methylsulfanyl)cyanamide
SMILESCSN(C)C#N
InChIInChI=1S/C3H6N2S/c1-5(3-4)6-2/h1-2H3
InChIKeyXXRRWLVFIDRNHI-UHFFFAOYSA-N
XLogP0.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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(methylsulfanyl)cyanamide?
The IUPAC name of methyl(methylsulfanyl)cyanamide (CID 141410976) is methyl(methylsulfanyl)cyanamide.
What is the SMILES notation for methyl(methylsulfanyl)cyanamide?
The canonical SMILES for methyl(methylsulfanyl)cyanamide is CSN(C)C#N.
What is the InChIKey of methyl(methylsulfanyl)cyanamide?
The InChIKey is XXRRWLVFIDRNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S/c1-5(3-4)6-2/h1-2H3.
What are the key properties of methyl(methylsulfanyl)cyanamide?
methyl(methylsulfanyl)cyanamide has a molecular weight of 102.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(methylsulfanyl)cyanamide is sourced from PubChem (CID 141410976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).