[(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate

C7H11NS — CID 143337699

IUPAC[(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate
SMILESC/C=C\S/C=N/C=C/C
InChIInChI=1S/C7H11NS/c1-3-5-8-7-9-6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7+
InChIKeyRZMBAACQUKJDLH-GOZJPCKMSA-N
MW141.24 g/mol
LogP2.82
Rot. Bonds3

About [(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate

[(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate (PubChem CID 143337699) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is [(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate.

Molecular Properties

Compound Name[(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate
PubChem CID143337699
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name[(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate
SMILESC/C=C\S/C=N/C=C/C
InChIInChI=1S/C7H11NS/c1-3-5-8-7-9-6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7+
InChIKeyRZMBAACQUKJDLH-GOZJPCKMSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.82
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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Related Compounds

1,3-Thiazepine
CID 12444277
6H-1,3-Thiazin
CID 12444279
1,3-Thiazepine;hydrochloride
CID 69806768
ethyl N-ethenylmethanimidothioate
CID 88935172
methyl N-[(Z)-prop-1-enyl]methanimidothioate
CID 89336407
N-[(Z)-2-ethenylsulfanylprop-1-enyl]methanimine
CID 89337888
1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride
CID 89339621
ethenyl N-prop-1-enylmethanimidothioate
CID 91557697
6-ethyl-6H-1,3-thiazine
CID 117881268
N-[(E)-3-methylsulfanylprop-2-enyl]methanimine
CID 118675776
6H-1,3-thiazine;hydrochloride
CID 121482080
N-(2-prop-1-enylsulfanylethenyl)ethanimine
CID 123338893

Frequently Asked Questions

What is the IUPAC name of [(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate?
The IUPAC name of [(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate (CID 143337699) is [(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate.
What is the SMILES notation for [(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate?
The canonical SMILES for [(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate is C/C=C\S/C=N/C=C/C.
What is the InChIKey of [(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate?
The InChIKey is RZMBAACQUKJDLH-GOZJPCKMSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-5-8-7-9-6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7+.
What are the key properties of [(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate?
[(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate has a molecular weight of 141.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate is sourced from PubChem (CID 143337699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).