[(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea

C10H13N3O2S — CID 7346890

IUPAC[(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea
SMILESC/C(COc1ccccc1O)=N\NC(N)=S
InChIInChI=1S/C10H13N3O2S/c1-7(12-13-10(11)16)6-15-9-5-3-2-4-8(9)14/h2-5,14H,6H2,1H3,(H3,11,13,16)/b12-7+
InChIKeyHJBBBUNOBNQWJE-KPKJPENVSA-N
MW239.30 g/mol
LogP0.98
Rot. Bonds4

About [(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea

[(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea (PubChem CID 7346890) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is [(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea
PubChem CID7346890
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name[(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea
SMILESC/C(COc1ccccc1O)=N\NC(N)=S
InChIInChI=1S/C10H13N3O2S/c1-7(12-13-10(11)16)6-15-9-5-3-2-4-8(9)14/h2-5,14H,6H2,1H3,(H3,11,13,16)/b12-7+
InChIKeyHJBBBUNOBNQWJE-KPKJPENVSA-N
XLogP0.98
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[(2Z)-2-(carbamothioylhydrazinylidene)propoxy]benzoate
CID 7659258
2-[2-[(2Z)-2-(carbamothioylhydrazinylidene)propyl]phenoxy]acetic acid
CID 6294513
2-[2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]oxyphenoxy]acetate
CID 6901056
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
2-(2-hydroxyphenoxy)acetamide
CID 786426
[(E)-1-[4-(thiadiazol-4-yl)phenoxy]propan-2-ylideneamino]thiourea
CID 6148373
(3Z)-3-(carbamothioylhydrazinylidene)-N-phenylbutanamide
CID 5465204
[(E)-1,1-diphenylpropan-2-ylideneamino]thiourea
CID 54785271
[1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea
CID 76872298
ethylbenzene;(propan-2-ylideneamino)thiourea
CID 174477199
methyl 2-[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]acetate
CID 71670011
2-(2-hydroxyphenoxy)-N-(2-methylpropoxy)acetamide
CID 115410289

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea?
The IUPAC name of [(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea (CID 7346890) is [(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea.
What is the SMILES notation for [(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea?
The canonical SMILES for [(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea is C/C(COc1ccccc1O)=N\NC(N)=S.
What is the InChIKey of [(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea?
The InChIKey is HJBBBUNOBNQWJE-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7(12-13-10(11)16)6-15-9-5-3-2-4-8(9)14/h2-5,14H,6H2,1H3,(H3,11,13,16)/b12-7+.
What are the key properties of [(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea?
[(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea has a molecular weight of 239.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(2-hydroxyphenoxy)propan-2-ylideneamino]thiourea is sourced from PubChem (CID 7346890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).