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

C8H13NS — CID 153380573

IUPAC[(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate
SMILESC/C=C\N=C(/C)S/C=C/C
InChIInChI=1S/C8H13NS/c1-4-6-9-8(3)10-7-5-2/h4-7H,1-3H3/b6-4-,7-5+,9-8+
InChIKeyRSFBONHQZNXDMH-QKFURRFOSA-N
MW155.27 g/mol
LogP3.21
Rot. Bonds2

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

[(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate (PubChem CID 153380573) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is [(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate.

Molecular Properties

Compound Name[(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate
PubChem CID153380573
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name[(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate
SMILESC/C=C\N=C(/C)S/C=C/C
InChIInChI=1S/C8H13NS/c1-4-6-9-8(3)10-7-5-2/h4-7H,1-3H3/b6-4-,7-5+,9-8+
InChIKeyRSFBONHQZNXDMH-QKFURRFOSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 53.21
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

methyl-6H-1,3-thiazine
CID 68031513
[(E)-prop-1-enyl] N-methylethanimidothioate
CID 89266207
ethenyl N-prop-1-enylmethanimidothioate
CID 91557697
ethenyl N-ethenylethanimidothioate
CID 123242748
N-(2-prop-1-enylsulfanylethenyl)ethanimine
CID 123338893
2-ethyl-6H-1,3-thiazine
CID 123347663
prop-2-enyl N-ethenylmethanimidothioate
CID 123407827
ethyl N-prop-1-enylmethanimidothioate
CID 123467621
1-[[(1Z)-buta-1,3-dienyl]-dimethyl-lambda4-sulfanyl]-N-ethenylmethanimine
CID 123588441
methylsulfanyl N-prop-1-enylethanimidothioate
CID 123678043
penta-2,4-dien-2-yl N-ethenylethanimidothioate
CID 124022967
prop-1-enyl N-methylethanimidothioate
CID 124034581

Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate?
The IUPAC name of [(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate (CID 153380573) is [(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate.
What is the SMILES notation for [(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate?
The canonical SMILES for [(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate is C/C=C\N=C(/C)S/C=C/C.
What is the InChIKey of [(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate?
The InChIKey is RSFBONHQZNXDMH-QKFURRFOSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-6-9-8(3)10-7-5-2/h4-7H,1-3H3/b6-4-,7-5+,9-8+.
What are the key properties of [(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate?
[(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate has a molecular weight of 155.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate is sourced from PubChem (CID 153380573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).