N-[bis(methylsulfanyl)methylidene]methanimidamide

C4H8N2S2 — CID 156561995

IUPACN-[bis(methylsulfanyl)methylidene]methanimidamide
SMILES[H]/N=C/N=C(SC)SC
InChIInChI=1S/C4H8N2S2/c1-7-4(8-2)6-3-5/h3,5H,1-2H3/b5-3+
InChIKeyHOQQWEVFMCJLKN-HWKANZROSA-N
MW148.26 g/mol
LogP1.68
Rot. Bonds1

About N-[bis(methylsulfanyl)methylidene]methanimidamide

N-[bis(methylsulfanyl)methylidene]methanimidamide (PubChem CID 156561995) has the molecular formula C4H8N2S2 and a molecular weight of 148.26 g/mol. Its IUPAC name is N-[bis(methylsulfanyl)methylidene]methanimidamide.

Molecular Properties

Compound NameN-[bis(methylsulfanyl)methylidene]methanimidamide
PubChem CID156561995
Molecular FormulaC4H8N2S2
Molecular Weight148.26 g/mol
Exact Mass148.01
IUPAC NameN-[bis(methylsulfanyl)methylidene]methanimidamide
SMILES[H]/N=C/N=C(SC)SC
InChIInChI=1S/C4H8N2S2/c1-7-4(8-2)6-3-5/h3,5H,1-2H3/b5-3+
InChIKeyHOQQWEVFMCJLKN-HWKANZROSA-N
XLogP1.68
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[bis(methylsulfanyl)methylidene]methanimidamide?
The IUPAC name of N-[bis(methylsulfanyl)methylidene]methanimidamide (CID 156561995) is N-[bis(methylsulfanyl)methylidene]methanimidamide.
What is the SMILES notation for N-[bis(methylsulfanyl)methylidene]methanimidamide?
The canonical SMILES for N-[bis(methylsulfanyl)methylidene]methanimidamide is [H]/N=C/N=C(SC)SC.
What is the InChIKey of N-[bis(methylsulfanyl)methylidene]methanimidamide?
The InChIKey is HOQQWEVFMCJLKN-HWKANZROSA-N. The full InChI is InChI=1S/C4H8N2S2/c1-7-4(8-2)6-3-5/h3,5H,1-2H3/b5-3+.
What are the key properties of N-[bis(methylsulfanyl)methylidene]methanimidamide?
N-[bis(methylsulfanyl)methylidene]methanimidamide has a molecular weight of 148.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(methylsulfanyl)methylidene]methanimidamide is sourced from PubChem (CID 156561995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).