[(3Z)-2-methylidenehexa-3,5-dienyl]thiourea

C8H12N2S — CID 143608767

IUPAC[(3Z)-2-methylidenehexa-3,5-dienyl]thiourea
SMILESC=C/C=C\C(=C)CNC(N)=S
InChIInChI=1S/C8H12N2S/c1-3-4-5-7(2)6-10-8(9)11/h3-5H,1-2,6H2,(H3,9,10,11)/b5-4-
InChIKeyNOPPFDUSMZLYOG-PLNGDYQASA-N
MW168.26 g/mol
LogP1.12
Rot. Bonds4

About [(3Z)-2-methylidenehexa-3,5-dienyl]thiourea

[(3Z)-2-methylidenehexa-3,5-dienyl]thiourea (PubChem CID 143608767) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is [(3Z)-2-methylidenehexa-3,5-dienyl]thiourea.

Molecular Properties

Compound Name[(3Z)-2-methylidenehexa-3,5-dienyl]thiourea
PubChem CID143608767
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name[(3Z)-2-methylidenehexa-3,5-dienyl]thiourea
SMILESC=C/C=C\C(=C)CNC(N)=S
InChIInChI=1S/C8H12N2S/c1-3-4-5-7(2)6-10-8(9)11/h3-5H,1-2,6H2,(H3,9,10,11)/b5-4-
InChIKeyNOPPFDUSMZLYOG-PLNGDYQASA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trienyl]thiourea
CID 89167186
N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine
CID 143671711
1-methyl-3-[(3E,5Z)-octa-3,5,7-trienyl]thiourea
CID 59960034
N'-(cyclohexa-1,5-dien-1-ylmethyl)methanediamine
CID 90399795
1-Methyl-3-(2-methylidenepent-3-enyl)thiourea
CID 123490363
1-Methyl-3-(4-methylhepta-2,4-dienyl)thiourea
CID 123980171
(2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide
CID 129262502
1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-methylthiourea
CID 142873058
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dihydroimidazole-2-thione
CID 142921704
(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienethioamide
CID 143634493
5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione
CID 156641517
N"-(cyclooctatetraenylmethyl)methanetriamine
CID 163949053

Frequently Asked Questions

What is the IUPAC name of [(3Z)-2-methylidenehexa-3,5-dienyl]thiourea?
The IUPAC name of [(3Z)-2-methylidenehexa-3,5-dienyl]thiourea (CID 143608767) is [(3Z)-2-methylidenehexa-3,5-dienyl]thiourea.
What is the SMILES notation for [(3Z)-2-methylidenehexa-3,5-dienyl]thiourea?
The canonical SMILES for [(3Z)-2-methylidenehexa-3,5-dienyl]thiourea is C=C/C=C\C(=C)CNC(N)=S.
What is the InChIKey of [(3Z)-2-methylidenehexa-3,5-dienyl]thiourea?
The InChIKey is NOPPFDUSMZLYOG-PLNGDYQASA-N. The full InChI is InChI=1S/C8H12N2S/c1-3-4-5-7(2)6-10-8(9)11/h3-5H,1-2,6H2,(H3,9,10,11)/b5-4-.
What are the key properties of [(3Z)-2-methylidenehexa-3,5-dienyl]thiourea?
[(3Z)-2-methylidenehexa-3,5-dienyl]thiourea has a molecular weight of 168.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-methylidenehexa-3,5-dienyl]thiourea is sourced from PubChem (CID 143608767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).