propan-2-yliminomethyl methanimidothioate

C5H10N2S — CID 134172357

IUPACpropan-2-yliminomethyl methanimidothioate
SMILES[H]/N=C/S/C=N/C(C)C
InChIInChI=1S/C5H10N2S/c1-5(2)7-4-8-3-6/h3-6H,1-2H3/b6-3+,7-4+
InChIKeyVSCLNSBIXGORLQ-XOKGJFMYSA-N
MW130.22 g/mol
LogP1.76
Rot. Bonds3

About propan-2-yliminomethyl methanimidothioate

propan-2-yliminomethyl methanimidothioate (PubChem CID 134172357) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is propan-2-yliminomethyl methanimidothioate.

Molecular Properties

Compound Namepropan-2-yliminomethyl methanimidothioate
PubChem CID134172357
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Namepropan-2-yliminomethyl methanimidothioate
SMILES[H]/N=C/S/C=N/C(C)C
InChIInChI=1S/C5H10N2S/c1-5(2)7-4-8-3-6/h3-6H,1-2H3/b6-3+,7-4+
InChIKeyVSCLNSBIXGORLQ-XOKGJFMYSA-N
XLogP1.76
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 propan-2-yliminomethyl methanimidothioate?
The IUPAC name of propan-2-yliminomethyl methanimidothioate (CID 134172357) is propan-2-yliminomethyl methanimidothioate.
What is the SMILES notation for propan-2-yliminomethyl methanimidothioate?
The canonical SMILES for propan-2-yliminomethyl methanimidothioate is [H]/N=C/S/C=N/C(C)C.
What is the InChIKey of propan-2-yliminomethyl methanimidothioate?
The InChIKey is VSCLNSBIXGORLQ-XOKGJFMYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-5(2)7-4-8-3-6/h3-6H,1-2H3/b6-3+,7-4+.
What are the key properties of propan-2-yliminomethyl methanimidothioate?
propan-2-yliminomethyl methanimidothioate has a molecular weight of 130.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yliminomethyl methanimidothioate is sourced from PubChem (CID 134172357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).