ethenyl N,2-dimethylpropanimidothioate

C7H13NS — CID 130469912

IUPACethenyl N,2-dimethylpropanimidothioate
SMILESC=CS/C(=N\C)C(C)C
InChIInChI=1S/C7H13NS/c1-5-9-7(8-4)6(2)3/h5-6H,1H2,2-4H3/b8-7-
InChIKeyDXKRBSQYAXBMQJ-FPLPWBNLSA-N
MW143.25 g/mol
LogP2.55
Rot. Bonds2

About ethenyl N,2-dimethylpropanimidothioate

ethenyl N,2-dimethylpropanimidothioate (PubChem CID 130469912) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is ethenyl N,2-dimethylpropanimidothioate.

Molecular Properties

Compound Nameethenyl N,2-dimethylpropanimidothioate
PubChem CID130469912
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Nameethenyl N,2-dimethylpropanimidothioate
SMILESC=CS/C(=N\C)C(C)C
InChIInChI=1S/C7H13NS/c1-5-9-7(8-4)6(2)3/h5-6H,1H2,2-4H3/b8-7-
InChIKeyDXKRBSQYAXBMQJ-FPLPWBNLSA-N
XLogP2.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.55
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 ethenyl N,2-dimethylpropanimidothioate?
The IUPAC name of ethenyl N,2-dimethylpropanimidothioate (CID 130469912) is ethenyl N,2-dimethylpropanimidothioate.
What is the SMILES notation for ethenyl N,2-dimethylpropanimidothioate?
The canonical SMILES for ethenyl N,2-dimethylpropanimidothioate is C=CS/C(=N\C)C(C)C.
What is the InChIKey of ethenyl N,2-dimethylpropanimidothioate?
The InChIKey is DXKRBSQYAXBMQJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H13NS/c1-5-9-7(8-4)6(2)3/h5-6H,1H2,2-4H3/b8-7-.
What are the key properties of ethenyl N,2-dimethylpropanimidothioate?
ethenyl N,2-dimethylpropanimidothioate has a molecular weight of 143.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N,2-dimethylpropanimidothioate is sourced from PubChem (CID 130469912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).