N-[(Z)-pent-2-enylidene]prop-2-enethioamide

C8H11NS — CID 91333527

IUPACN-[(Z)-pent-2-enylidene]prop-2-enethioamide
SMILESC=CC(=S)/N=C/C=C\CC
InChIInChI=1S/C8H11NS/c1-3-5-6-7-9-8(10)4-2/h4-7H,2-3H2,1H3/b6-5-,9-7+
InChIKeyFATZDNUOUJCBKV-BZWSEGBZSA-N
MW153.25 g/mol
LogP2.54
Rot. Bonds3

About N-[(Z)-pent-2-enylidene]prop-2-enethioamide

N-[(Z)-pent-2-enylidene]prop-2-enethioamide (PubChem CID 91333527) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is N-[(Z)-pent-2-enylidene]prop-2-enethioamide.

Molecular Properties

Compound NameN-[(Z)-pent-2-enylidene]prop-2-enethioamide
PubChem CID91333527
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC NameN-[(Z)-pent-2-enylidene]prop-2-enethioamide
SMILESC=CC(=S)/N=C/C=C\CC
InChIInChI=1S/C8H11NS/c1-3-5-6-7-9-8(10)4-2/h4-7H,2-3H2,1H3/b6-5-,9-7+
InChIKeyFATZDNUOUJCBKV-BZWSEGBZSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Pyridine-3(2H)-thione
CID 13507521
Pyridine-2(3H)-thione
CID 14762675
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
3H-pyridine-6-thione
CID 20593761
N-propylpent-2-en-1-imine
CID 57277336
2-(Propyldisulfanyl)-2,3-dihydropyridine
CID 60024987
(2Z,5Z)-N-ethylhepta-2,5-dien-1-imine
CID 87527289
3-methyl-2H-pyridine-3-thiol
CID 89106565
(Z)-N-[(2Z)-penta-2,4-dienyl]pent-2-en-1-imine
CID 89152120
N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine
CID 118227660
Ethane;pyrrole-2-thione
CID 123223243
(Z)-N-propylpent-2-en-1-imine
CID 123451902

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pent-2-enylidene]prop-2-enethioamide?
The IUPAC name of N-[(Z)-pent-2-enylidene]prop-2-enethioamide (CID 91333527) is N-[(Z)-pent-2-enylidene]prop-2-enethioamide.
What is the SMILES notation for N-[(Z)-pent-2-enylidene]prop-2-enethioamide?
The canonical SMILES for N-[(Z)-pent-2-enylidene]prop-2-enethioamide is C=CC(=S)/N=C/C=C\CC.
What is the InChIKey of N-[(Z)-pent-2-enylidene]prop-2-enethioamide?
The InChIKey is FATZDNUOUJCBKV-BZWSEGBZSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-5-6-7-9-8(10)4-2/h4-7H,2-3H2,1H3/b6-5-,9-7+.
What are the key properties of N-[(Z)-pent-2-enylidene]prop-2-enethioamide?
N-[(Z)-pent-2-enylidene]prop-2-enethioamide has a molecular weight of 153.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pent-2-enylidene]prop-2-enethioamide is sourced from PubChem (CID 91333527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).