[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate

C11H15NS — CID 155707553

IUPAC[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate
SMILESC=C(C)/C=C\C(=C)C(=C)S/C=N/C
InChIInChI=1S/C11H15NS/c1-9(2)6-7-10(3)11(4)13-8-12-5/h6-8H,1,3-4H2,2,5H3/b7-6-,12-8+
InChIKeyRUUULVOGRDQMAA-UGLNBITBSA-N
MW193.31 g/mol
LogP3.58
Rot. Bonds5

About [(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate

[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate (PubChem CID 155707553) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is [(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate.

Molecular Properties

Compound Name[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate
PubChem CID155707553
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate
SMILESC=C(C)/C=C\C(=C)C(=C)S/C=N/C
InChIInChI=1S/C11H15NS/c1-9(2)6-7-10(3)11(4)13-8-12-5/h6-8H,1,3-4H2,2,5H3/b7-6-,12-8+
InChIKeyRUUULVOGRDQMAA-UGLNBITBSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.58
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E,4E)-hepta-2,4-dien-4-yl] N-methylmethanimidothioate
CID 142887678
ethane;ethene;[(3Z)-6-methylhepta-3,5-dienyl] N-methylmethanimidothioate
CID 143483188
cyclohexa-1,5-dien-1-ylmethyl N-methylmethanimidothioate;ethane
CID 145555072
[(4Z)-hexa-1,4-dien-2-yl] N-methylmethanimidothioate
CID 145611060
[(Z)-4-methylpent-2-en-3-yl] N-methylmethanimidothioate
CID 155427976
[(4Z)-7-methyl-3,6-dimethylideneocta-1,4-dien-2-yl] N-methylmethanimidothioate
CID 171105189
ethane;[(3E,5Z,7Z)-6-propan-2-ylnona-1,3,5,7-tetraen-2-yl] N-methylmethanimidothioate
CID 171105448
(5Z,7Z,9R)-9-methyl-10-methylidene-4,9-dihydro-1,3-thiazecine
CID 173736667
7-Methyl-4,9-dihydro-1,3-thiazonine
CID 173842652
(4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole
CID 174023134
[(3Z)-6-methylhepta-3,5-dienyl] N-methylmethanimidothioate
CID 143483189
N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine
CID 143636412

Frequently Asked Questions

What is the IUPAC name of [(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate?
The IUPAC name of [(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate (CID 155707553) is [(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate.
What is the SMILES notation for [(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate?
The canonical SMILES for [(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate is C=C(C)/C=C\C(=C)C(=C)S/C=N/C.
What is the InChIKey of [(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate?
The InChIKey is RUUULVOGRDQMAA-UGLNBITBSA-N. The full InChI is InChI=1S/C11H15NS/c1-9(2)6-7-10(3)11(4)13-8-12-5/h6-8H,1,3-4H2,2,5H3/b7-6-,12-8+.
What are the key properties of [(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate?
[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate has a molecular weight of 193.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate is sourced from PubChem (CID 155707553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).