[(Z)-(3-methylphenyl)methylideneamino]thiourea

C9H11N3S — CID 5375307

IUPAC[(Z)-(3-methylphenyl)methylideneamino]thiourea
SMILESCc1cccc(/C=N\NC(N)=S)c1
InChIInChI=1S/C9H11N3S/c1-7-3-2-4-8(5-7)6-11-12-9(10)13/h2-6H,1H3,(H3,10,12,13)/b11-6-
InChIKeyFGGAGBAUEILIJY-WDZFZDKYSA-N
MW193.28 g/mol
LogP1.16
Rot. Bonds2

About [(Z)-(3-methylphenyl)methylideneamino]thiourea

[(Z)-(3-methylphenyl)methylideneamino]thiourea (PubChem CID 5375307) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is [(Z)-(3-methylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(3-methylphenyl)methylideneamino]thiourea
PubChem CID5375307
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name[(Z)-(3-methylphenyl)methylideneamino]thiourea
SMILESCc1cccc(/C=N\NC(N)=S)c1
InChIInChI=1S/C9H11N3S/c1-7-3-2-4-8(5-7)6-11-12-9(10)13/h2-6H,1H3,(H3,10,12,13)/b11-6-
InChIKeyFGGAGBAUEILIJY-WDZFZDKYSA-N
XLogP1.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(E)-(3-bromophenyl)methylideneamino]thiourea
CID 7695054
[(E)-(3-nitrosophenyl)methylideneamino]thiourea
CID 19165032
[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea
CID 136657265
[(E)-(3-cyanophenyl)methylideneamino]thiourea
CID 57461900
3-[(carbamothioylhydrazinylidene)methyl]benzoic acid
CID 71395516
[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 900233
ethyl N-[(3-methylphenyl)methylideneamino]carbamate
CID 2692645
[3-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5426343
[(E)-benzylideneamino]thiourea;ethane;ethane;tungsten
CID 172958420
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
1-methyl-3-[(E)-[3-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
CID 6903322
[4-[(carbamothioylhydrazinylidene)methyl]-2-methylphenyl]boronic acid
CID 168534349

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3-methylphenyl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(3-methylphenyl)methylideneamino]thiourea (CID 5375307) is [(Z)-(3-methylphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(3-methylphenyl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(3-methylphenyl)methylideneamino]thiourea is Cc1cccc(/C=N\NC(N)=S)c1.
What is the InChIKey of [(Z)-(3-methylphenyl)methylideneamino]thiourea?
The InChIKey is FGGAGBAUEILIJY-WDZFZDKYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-3-2-4-8(5-7)6-11-12-9(10)13/h2-6H,1H3,(H3,10,12,13)/b11-6-.
What are the key properties of [(Z)-(3-methylphenyl)methylideneamino]thiourea?
[(Z)-(3-methylphenyl)methylideneamino]thiourea has a molecular weight of 193.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-methylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 5375307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).