(Z)-2-(methylamino)ethenethiol

C3H7NS — CID 58992198

IUPAC(Z)-2-(methylamino)ethenethiol
SMILESCN/C=C\S
InChIInChI=1S/C3H7NS/c1-4-2-3-5/h2-5H,1H3/b3-2-
InChIKeySDIBJLMBCQCYMD-IHWYPQMZSA-N
MW89.16 g/mol
LogP0.61
Rot. Bonds1

About (Z)-2-(methylamino)ethenethiol

(Z)-2-(methylamino)ethenethiol (PubChem CID 58992198) has the molecular formula C3H7NS and a molecular weight of 89.16 g/mol. Its IUPAC name is (Z)-2-(methylamino)ethenethiol.

Molecular Properties

Compound Name(Z)-2-(methylamino)ethenethiol
PubChem CID58992198
Molecular FormulaC3H7NS
Molecular Weight89.16 g/mol
Exact Mass89.03
IUPAC Name(Z)-2-(methylamino)ethenethiol
SMILESCN/C=C\S
InChIInChI=1S/C3H7NS/c1-4-2-3-5/h2-5H,1H3/b3-2-
InChIKeySDIBJLMBCQCYMD-IHWYPQMZSA-N
XLogP0.61
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylamino)ethenethiol?
The IUPAC name of (Z)-2-(methylamino)ethenethiol (CID 58992198) is (Z)-2-(methylamino)ethenethiol.
What is the SMILES notation for (Z)-2-(methylamino)ethenethiol?
The canonical SMILES for (Z)-2-(methylamino)ethenethiol is CN/C=C\S.
What is the InChIKey of (Z)-2-(methylamino)ethenethiol?
The InChIKey is SDIBJLMBCQCYMD-IHWYPQMZSA-N. The full InChI is InChI=1S/C3H7NS/c1-4-2-3-5/h2-5H,1H3/b3-2-.
What are the key properties of (Z)-2-(methylamino)ethenethiol?
(Z)-2-(methylamino)ethenethiol has a molecular weight of 89.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylamino)ethenethiol is sourced from PubChem (CID 58992198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).