[1-(2-methylphenyl)ethylideneamino]thiourea

C10H13N3S — CID 76872325

IUPAC[1-(2-methylphenyl)ethylideneamino]thiourea
SMILESCC(=NNC(N)=S)c1ccccc1C
InChIInChI=1S/C10H13N3S/c1-7-5-3-4-6-9(7)8(2)12-13-10(11)14/h3-6H,1-2H3,(H3,11,13,14)
InChIKeyRJGFKUBBPSYLIP-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.55
Rot. Bonds2

About [1-(2-methylphenyl)ethylideneamino]thiourea

[1-(2-methylphenyl)ethylideneamino]thiourea (PubChem CID 76872325) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is [1-(2-methylphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[1-(2-methylphenyl)ethylideneamino]thiourea
PubChem CID76872325
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name[1-(2-methylphenyl)ethylideneamino]thiourea
SMILESCC(=NNC(N)=S)c1ccccc1C
InChIInChI=1S/C10H13N3S/c1-7-5-3-4-6-9(7)8(2)12-13-10(11)14/h3-6H,1-2H3,(H3,11,13,14)
InChIKeyRJGFKUBBPSYLIP-UHFFFAOYSA-N
XLogP1.55
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.55
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

(1-phenylethylideneamino)thiourea
CID 912962
[1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea
CID 76872298
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 87901864
[1-[6-[N-(carbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 3940512
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
CID 10474226
[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea
CID 121010367

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)ethylideneamino]thiourea?
The IUPAC name of [1-(2-methylphenyl)ethylideneamino]thiourea (CID 76872325) is [1-(2-methylphenyl)ethylideneamino]thiourea.
What is the SMILES notation for [1-(2-methylphenyl)ethylideneamino]thiourea?
The canonical SMILES for [1-(2-methylphenyl)ethylideneamino]thiourea is CC(=NNC(N)=S)c1ccccc1C.
What is the InChIKey of [1-(2-methylphenyl)ethylideneamino]thiourea?
The InChIKey is RJGFKUBBPSYLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-5-3-4-6-9(7)8(2)12-13-10(11)14/h3-6H,1-2H3,(H3,11,13,14).
What are the key properties of [1-(2-methylphenyl)ethylideneamino]thiourea?
[1-(2-methylphenyl)ethylideneamino]thiourea has a molecular weight of 207.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 76872325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).