(trimethyl-λ4-sulfanyl)methanimidamide

C4H12N2S — CID 166786193

IUPAC(trimethyl-λ4-sulfanyl)methanimidamide
SMILES[H]/N=C(\N)S(C)(C)C
InChIInChI=1S/C4H12N2S/c1-7(2,3)4(5)6/h1-3H3,(H3,5,6)
InChIKeyUCQHEFXURWGLNM-UHFFFAOYSA-N
MW120.22 g/mol
LogP0.57
Rot. Bonds

About (trimethyl-λ4-sulfanyl)methanimidamide

(trimethyl-λ4-sulfanyl)methanimidamide (PubChem CID 166786193) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is (trimethyl-λ4-sulfanyl)methanimidamide.

Molecular Properties

Compound Name(trimethyl-λ4-sulfanyl)methanimidamide
PubChem CID166786193
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC Name(trimethyl-λ4-sulfanyl)methanimidamide
SMILES[H]/N=C(\N)S(C)(C)C
InChIInChI=1S/C4H12N2S/c1-7(2,3)4(5)6/h1-3H3,(H3,5,6)
InChIKeyUCQHEFXURWGLNM-UHFFFAOYSA-N
XLogP0.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (trimethyl-λ4-sulfanyl)methanimidamide?
The IUPAC name of (trimethyl-λ4-sulfanyl)methanimidamide (CID 166786193) is (trimethyl-λ4-sulfanyl)methanimidamide.
What is the SMILES notation for (trimethyl-λ4-sulfanyl)methanimidamide?
The canonical SMILES for (trimethyl-λ4-sulfanyl)methanimidamide is [H]/N=C(\N)S(C)(C)C.
What is the InChIKey of (trimethyl-λ4-sulfanyl)methanimidamide?
The InChIKey is UCQHEFXURWGLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S/c1-7(2,3)4(5)6/h1-3H3,(H3,5,6).
What are the key properties of (trimethyl-λ4-sulfanyl)methanimidamide?
(trimethyl-λ4-sulfanyl)methanimidamide has a molecular weight of 120.22 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (trimethyl-λ4-sulfanyl)methanimidamide is sourced from PubChem (CID 166786193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).