[(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate

C8H15NS — CID 155427976

IUPAC[(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate
SMILESC/C=C(\S/C=N/C)C(C)C
InChIInChI=1S/C8H15NS/c1-5-8(7(2)3)10-6-9-4/h5-7H,1-4H3/b8-5-,9-6+
InChIKeyBZCSFNFNWBHQTJ-LDFAFZTOSA-N
MW157.28 g/mol
LogP2.94
Rot. Bonds3

About [(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate

[(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate (PubChem CID 155427976) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is [(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate.

Molecular Properties

Compound Name[(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate
PubChem CID155427976
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name[(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate
SMILESC/C=C(\S/C=N/C)C(C)C
InChIInChI=1S/C8H15NS/c1-5-8(7(2)3)10-6-9-4/h5-7H,1-4H3/b8-5-,9-6+
InChIKeyBZCSFNFNWBHQTJ-LDFAFZTOSA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.94
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

3-methylbut-1-en-2-yl N-methylmethanimidothioate
CID 91312751
[(E)-hex-2-en-2-yl] N-methylmethanimidothioate
CID 117744977
4-methyl-6-propan-2-yl-4H-1,3-thiazine
CID 129200509
[(2E,4E)-hepta-2,4-dien-4-yl] N-methylmethanimidothioate
CID 142887678
6-Ethyl-4,4-dimethyl-1,3-thiazine
CID 143420855
cyclopenten-1-yl N-methylmethanimidothioate
CID 144086321
ethane;3-methylbut-1-en-2-yl N-methylmethanimidothioate
CID 144938197
[(4Z)-hexa-1,4-dien-2-yl] N-methylmethanimidothioate
CID 145611060
4,4-Dimethyl-6-propan-2-yl-1,3-thiazine
CID 147226328
3-methylbut-1-en-2-yl N-methylmethanimidothioate;propane
CID 172300579
[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate
CID 155707553

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate?
The IUPAC name of [(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate (CID 155427976) is [(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate.
What is the SMILES notation for [(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate?
The canonical SMILES for [(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate is C/C=C(\S/C=N/C)C(C)C.
What is the InChIKey of [(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate?
The InChIKey is BZCSFNFNWBHQTJ-LDFAFZTOSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-8(7(2)3)10-6-9-4/h5-7H,1-4H3/b8-5-,9-6+.
What are the key properties of [(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate?
[(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate has a molecular weight of 157.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate is sourced from PubChem (CID 155427976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).