methyl-[(Z)-2-sulfanylethenyl]azanium

C3H8NS+ — CID 58992197

IUPACmethyl-[(Z)-2-sulfanylethenyl]azanium
SMILESC[NH2+]/C=C\S
InChIInChI=1S/C3H7NS/c1-4-2-3-5/h2-5H,1H3/p+1/b3-2-
InChIKeySDIBJLMBCQCYMD-IHWYPQMZSA-O
MW90.17 g/mol
LogP-0.42
Rot. Bonds1

About methyl-[(Z)-2-sulfanylethenyl]azanium

methyl-[(Z)-2-sulfanylethenyl]azanium (PubChem CID 58992197) has the molecular formula C3H8NS+ and a molecular weight of 90.17 g/mol. Its IUPAC name is methyl-[(Z)-2-sulfanylethenyl]azanium.

Molecular Properties

Compound Namemethyl-[(Z)-2-sulfanylethenyl]azanium
PubChem CID58992197
Molecular FormulaC3H8NS+
Molecular Weight90.17 g/mol
Exact Mass90.04
IUPAC Namemethyl-[(Z)-2-sulfanylethenyl]azanium
SMILESC[NH2+]/C=C\S
InChIInChI=1S/C3H7NS/c1-4-2-3-5/h2-5H,1H3/p+1/b3-2-
InChIKeySDIBJLMBCQCYMD-IHWYPQMZSA-O
XLogP-0.42
TPSA16.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 methyl-[(Z)-2-sulfanylethenyl]azanium?
The IUPAC name of methyl-[(Z)-2-sulfanylethenyl]azanium (CID 58992197) is methyl-[(Z)-2-sulfanylethenyl]azanium.
What is the SMILES notation for methyl-[(Z)-2-sulfanylethenyl]azanium?
The canonical SMILES for methyl-[(Z)-2-sulfanylethenyl]azanium is C[NH2+]/C=C\S.
What is the InChIKey of methyl-[(Z)-2-sulfanylethenyl]azanium?
The InChIKey is SDIBJLMBCQCYMD-IHWYPQMZSA-O. The full InChI is InChI=1S/C3H7NS/c1-4-2-3-5/h2-5H,1H3/p+1/b3-2-.
What are the key properties of methyl-[(Z)-2-sulfanylethenyl]azanium?
methyl-[(Z)-2-sulfanylethenyl]azanium has a molecular weight of 90.17 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(Z)-2-sulfanylethenyl]azanium is sourced from PubChem (CID 58992197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).