[(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate

C11H19NS — CID 139541592

IUPAC[(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate
SMILESC=C(C)/N=C/SC/C=C\C(C)(C)C
InChIInChI=1S/C11H19NS/c1-10(2)12-9-13-8-6-7-11(3,4)5/h6-7,9H,1,8H2,2-5H3/b7-6-,12-9+
InChIKeyUSEDOVPGCMXLNG-IYNHQRNQSA-N
MW197.35 g/mol
LogP3.88
Rot. Bonds4

About [(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate

[(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate (PubChem CID 139541592) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is [(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate.

Molecular Properties

Compound Name[(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate
PubChem CID139541592
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name[(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate
SMILESC=C(C)/N=C/SC/C=C\C(C)(C)C
InChIInChI=1S/C11H19NS/c1-10(2)12-9-13-8-6-7-11(3,4)5/h6-7,9H,1,8H2,2-5H3/b7-6-,12-9+
InChIKeyUSEDOVPGCMXLNG-IYNHQRNQSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate?
The IUPAC name of [(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate (CID 139541592) is [(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate.
What is the SMILES notation for [(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate?
The canonical SMILES for [(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate is C=C(C)/N=C/SC/C=C\C(C)(C)C.
What is the InChIKey of [(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate?
The InChIKey is USEDOVPGCMXLNG-IYNHQRNQSA-N. The full InChI is InChI=1S/C11H19NS/c1-10(2)12-9-13-8-6-7-11(3,4)5/h6-7,9H,1,8H2,2-5H3/b7-6-,12-9+.
What are the key properties of [(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate?
[(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate has a molecular weight of 197.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate is sourced from PubChem (CID 139541592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).