2-methanidyl-1-methylidene-1,2-thiazolidine

C5H10NS- — CID 87414479

IUPAC2-methanidyl-1-methylidene-1,2-thiazolidine
SMILESC=S1CCCN1[CH2-]
InChIInChI=1S/C5H10NS/c1-6-4-3-5-7(6)2/h1-5H2/q-1
InChIKeyKTEAPFMGDCKGMP-UHFFFAOYSA-N
MW116.21 g/mol
LogP1.10
Rot. Bonds

About 2-methanidyl-1-methylidene-1,2-thiazolidine

2-methanidyl-1-methylidene-1,2-thiazolidine (PubChem CID 87414479) has the molecular formula C5H10NS- and a molecular weight of 116.21 g/mol. Its IUPAC name is 2-methanidyl-1-methylidene-1,2-thiazolidine.

Molecular Properties

Compound Name2-methanidyl-1-methylidene-1,2-thiazolidine
PubChem CID87414479
Molecular FormulaC5H10NS-
Molecular Weight116.21 g/mol
Exact Mass116.05
IUPAC Name2-methanidyl-1-methylidene-1,2-thiazolidine
SMILESC=S1CCCN1[CH2-]
InChIInChI=1S/C5H10NS/c1-6-4-3-5-7(6)2/h1-5H2/q-1
InChIKeyKTEAPFMGDCKGMP-UHFFFAOYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-1-methylidene-1,2-thiazolidine?
The IUPAC name of 2-methanidyl-1-methylidene-1,2-thiazolidine (CID 87414479) is 2-methanidyl-1-methylidene-1,2-thiazolidine.
What is the SMILES notation for 2-methanidyl-1-methylidene-1,2-thiazolidine?
The canonical SMILES for 2-methanidyl-1-methylidene-1,2-thiazolidine is C=S1CCCN1[CH2-].
What is the InChIKey of 2-methanidyl-1-methylidene-1,2-thiazolidine?
The InChIKey is KTEAPFMGDCKGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NS/c1-6-4-3-5-7(6)2/h1-5H2/q-1.
What are the key properties of 2-methanidyl-1-methylidene-1,2-thiazolidine?
2-methanidyl-1-methylidene-1,2-thiazolidine has a molecular weight of 116.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-1-methylidene-1,2-thiazolidine is sourced from PubChem (CID 87414479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).