N'-methyl-N-methylsulfanylmethanimidamide

C3H8N2S — CID 123437875

IUPACN'-methyl-N-methylsulfanylmethanimidamide
SMILESC/N=C/NSC
InChIInChI=1S/C3H8N2S/c1-4-3-5-6-2/h3H,1-2H3,(H,4,5)
InChIKeyDCVLCNKZNSYJGA-UHFFFAOYSA-N
MW104.18 g/mol
LogP0.51
Rot. Bonds2

About N'-methyl-N-methylsulfanylmethanimidamide

N'-methyl-N-methylsulfanylmethanimidamide (PubChem CID 123437875) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is N'-methyl-N-methylsulfanylmethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-methylsulfanylmethanimidamide
PubChem CID123437875
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC NameN'-methyl-N-methylsulfanylmethanimidamide
SMILESC/N=C/NSC
InChIInChI=1S/C3H8N2S/c1-4-3-5-6-2/h3H,1-2H3,(H,4,5)
InChIKeyDCVLCNKZNSYJGA-UHFFFAOYSA-N
XLogP0.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.51
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-methylsulfanylmethanimidamide?
The IUPAC name of N'-methyl-N-methylsulfanylmethanimidamide (CID 123437875) is N'-methyl-N-methylsulfanylmethanimidamide.
What is the SMILES notation for N'-methyl-N-methylsulfanylmethanimidamide?
The canonical SMILES for N'-methyl-N-methylsulfanylmethanimidamide is C/N=C/NSC.
What is the InChIKey of N'-methyl-N-methylsulfanylmethanimidamide?
The InChIKey is DCVLCNKZNSYJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S/c1-4-3-5-6-2/h3H,1-2H3,(H,4,5).
What are the key properties of N'-methyl-N-methylsulfanylmethanimidamide?
N'-methyl-N-methylsulfanylmethanimidamide has a molecular weight of 104.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-methylsulfanylmethanimidamide is sourced from PubChem (CID 123437875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).