methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate

C8H13NS2 — CID 15350944

IUPACmethyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate
SMILESC=C/C=C(SC)/C(=N/C)SC
InChIInChI=1S/C8H13NS2/c1-5-6-7(10-3)8(9-2)11-4/h5-6H,1H2,2-4H3/b7-6-,9-8-
InChIKeyOSOPSXLVDCXLNW-JPDBVBESSA-N
MW187.33 g/mol
LogP2.81
Rot. Bonds3

About methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate

methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate (PubChem CID 15350944) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate.

Molecular Properties

Compound Namemethyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate
PubChem CID15350944
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Namemethyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate
SMILESC=C/C=C(SC)/C(=N/C)SC
InChIInChI=1S/C8H13NS2/c1-5-6-7(10-3)8(9-2)11-4/h5-6H,1H2,2-4H3/b7-6-,9-8-
InChIKeyOSOPSXLVDCXLNW-JPDBVBESSA-N
XLogP2.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N-methyl-3-methylsulfanylhexa-2,4-dien-1-imine
CID 90143961
methyl N-[(2Z)-penta-2,4-dienyl]ethanimidothioate
CID 90248677
N-methyl-1-(methyl-methylsulfanyl-sulfanyl-lambda4-sulfanyl)but-2-en-1-imine
CID 123277845
methyl N-methylbut-2-enimidothioate
CID 123791195
methylsulfanyl (2Z)-N-methylpenta-2,4-dienimidothioate
CID 126587390
[(2E)-penta-2,4-dien-2-yl] N-methylethanimidothioate
CID 137419475
[(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate
CID 139443844
[(2E,4E)-hexa-2,4-dien-3-yl] N-methylmethanimidothioate
CID 142942447
sulfanyl (2Z)-N-methylpenta-2,4-dienimidothioate
CID 145664696
methyl (Z)-N-methylbut-2-enimidothioate
CID 149380981
ethenyl (2Z)-N-ethenyl-2-methylsulfanylpenta-2,4-dienimidothioate
CID 156291075
ethenyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate
CID 156385903

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate?
The IUPAC name of methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate (CID 15350944) is methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate.
What is the SMILES notation for methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate?
The canonical SMILES for methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate is C=C/C=C(SC)/C(=N/C)SC.
What is the InChIKey of methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate?
The InChIKey is OSOPSXLVDCXLNW-JPDBVBESSA-N. The full InChI is InChI=1S/C8H13NS2/c1-5-6-7(10-3)8(9-2)11-4/h5-6H,1H2,2-4H3/b7-6-,9-8-.
What are the key properties of methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate?
methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate has a molecular weight of 187.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-N-methyl-2-methylsulfanylpenta-2,4-dienimidothioate is sourced from PubChem (CID 15350944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).