(Z)-2-(methylaminosulfanyl)ethenamine

C3H8N2S — CID 118176376

IUPAC(Z)-2-(methylaminosulfanyl)ethenamine
SMILESCNS/C=C\N
InChIInChI=1S/C3H8N2S/c1-5-6-3-2-4/h2-3,5H,4H2,1H3/b3-2-
InChIKeyRJXXBRHNNIKTRE-IHWYPQMZSA-N
MW104.18 g/mol
LogP0.28
Rot. Bonds2

About (Z)-2-(methylaminosulfanyl)ethenamine

(Z)-2-(methylaminosulfanyl)ethenamine (PubChem CID 118176376) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is (Z)-2-(methylaminosulfanyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(methylaminosulfanyl)ethenamine
PubChem CID118176376
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Name(Z)-2-(methylaminosulfanyl)ethenamine
SMILESCNS/C=C\N
InChIInChI=1S/C3H8N2S/c1-5-6-3-2-4/h2-3,5H,4H2,1H3/b3-2-
InChIKeyRJXXBRHNNIKTRE-IHWYPQMZSA-N
XLogP0.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylaminosulfanyl)ethenamine?
The IUPAC name of (Z)-2-(methylaminosulfanyl)ethenamine (CID 118176376) is (Z)-2-(methylaminosulfanyl)ethenamine.
What is the SMILES notation for (Z)-2-(methylaminosulfanyl)ethenamine?
The canonical SMILES for (Z)-2-(methylaminosulfanyl)ethenamine is CNS/C=C\N.
What is the InChIKey of (Z)-2-(methylaminosulfanyl)ethenamine?
The InChIKey is RJXXBRHNNIKTRE-IHWYPQMZSA-N. The full InChI is InChI=1S/C3H8N2S/c1-5-6-3-2-4/h2-3,5H,4H2,1H3/b3-2-.
What are the key properties of (Z)-2-(methylaminosulfanyl)ethenamine?
(Z)-2-(methylaminosulfanyl)ethenamine has a molecular weight of 104.18 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylaminosulfanyl)ethenamine is sourced from PubChem (CID 118176376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).