[(Z)-but-2-en-2-yl] N-methylmethanimidothioate

C6H11NS — CID 139565652

IUPAC[(Z)-but-2-en-2-yl] N-methylmethanimidothioate
SMILESC/C=C(/C)S/C=N/C
InChIInChI=1S/C6H11NS/c1-4-6(2)8-5-7-3/h4-5H,1-3H3/b6-4-,7-5+
InChIKeyIQRZHUSAIQDHIE-XGXWUAJZSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds2

About [(Z)-but-2-en-2-yl] N-methylmethanimidothioate

[(Z)-but-2-en-2-yl] N-methylmethanimidothioate (PubChem CID 139565652) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is [(Z)-but-2-en-2-yl] N-methylmethanimidothioate.

Molecular Properties

Compound Name[(Z)-but-2-en-2-yl] N-methylmethanimidothioate
PubChem CID139565652
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name[(Z)-but-2-en-2-yl] N-methylmethanimidothioate
SMILESC/C=C(/C)S/C=N/C
InChIInChI=1S/C6H11NS/c1-4-6(2)8-5-7-3/h4-5H,1-3H3/b6-4-,7-5+
InChIKeyIQRZHUSAIQDHIE-XGXWUAJZSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(Z)-but-2-en-2-yl] N-methylmethanimidothioate?
The IUPAC name of [(Z)-but-2-en-2-yl] N-methylmethanimidothioate (CID 139565652) is [(Z)-but-2-en-2-yl] N-methylmethanimidothioate.
What is the SMILES notation for [(Z)-but-2-en-2-yl] N-methylmethanimidothioate?
The canonical SMILES for [(Z)-but-2-en-2-yl] N-methylmethanimidothioate is C/C=C(/C)S/C=N/C.
What is the InChIKey of [(Z)-but-2-en-2-yl] N-methylmethanimidothioate?
The InChIKey is IQRZHUSAIQDHIE-XGXWUAJZSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-6(2)8-5-7-3/h4-5H,1-3H3/b6-4-,7-5+.
What are the key properties of [(Z)-but-2-en-2-yl] N-methylmethanimidothioate?
[(Z)-but-2-en-2-yl] N-methylmethanimidothioate has a molecular weight of 129.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-en-2-yl] N-methylmethanimidothioate is sourced from PubChem (CID 139565652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).