[bis(methylsulfanyl)methylideneamino]methanamine

C4H10N2S2 — CID 135128904

IUPAC[bis(methylsulfanyl)methylideneamino]methanamine
SMILESCSC(=NCN)SC
InChIInChI=1S/C4H10N2S2/c1-7-4(8-2)6-3-5/h3,5H2,1-2H3
InChIKeyNWCQEKUTZNHQDL-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.98
Rot. Bonds1

About [bis(methylsulfanyl)methylideneamino]methanamine

[bis(methylsulfanyl)methylideneamino]methanamine (PubChem CID 135128904) has the molecular formula C4H10N2S2 and a molecular weight of 150.27 g/mol. Its IUPAC name is [bis(methylsulfanyl)methylideneamino]methanamine.

Molecular Properties

Compound Name[bis(methylsulfanyl)methylideneamino]methanamine
PubChem CID135128904
Molecular FormulaC4H10N2S2
Molecular Weight150.27 g/mol
Exact Mass150.03
IUPAC Name[bis(methylsulfanyl)methylideneamino]methanamine
SMILESCSC(=NCN)SC
InChIInChI=1S/C4H10N2S2/c1-7-4(8-2)6-3-5/h3,5H2,1-2H3
InChIKeyNWCQEKUTZNHQDL-UHFFFAOYSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [bis(methylsulfanyl)methylideneamino]methanamine?
The IUPAC name of [bis(methylsulfanyl)methylideneamino]methanamine (CID 135128904) is [bis(methylsulfanyl)methylideneamino]methanamine.
What is the SMILES notation for [bis(methylsulfanyl)methylideneamino]methanamine?
The canonical SMILES for [bis(methylsulfanyl)methylideneamino]methanamine is CSC(=NCN)SC.
What is the InChIKey of [bis(methylsulfanyl)methylideneamino]methanamine?
The InChIKey is NWCQEKUTZNHQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S2/c1-7-4(8-2)6-3-5/h3,5H2,1-2H3.
What are the key properties of [bis(methylsulfanyl)methylideneamino]methanamine?
[bis(methylsulfanyl)methylideneamino]methanamine has a molecular weight of 150.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(methylsulfanyl)methylideneamino]methanamine is sourced from PubChem (CID 135128904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).