(4-propan-2-yloxyphenyl)thiourea;hydrochloride

C10H15ClN2OS — CID 139878067

IUPAC(4-propan-2-yloxyphenyl)thiourea;hydrochloride
SMILESCC(C)Oc1ccc(NC(N)=S)cc1.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-7(2)13-9-5-3-8(4-6-9)12-10(11)14;/h3-7H,1-2H3,(H3,11,12,14);1H
InChIKeyTXVBFTLCKJEMQU-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.55
Rot. Bonds3

About (4-propan-2-yloxyphenyl)thiourea;hydrochloride

(4-propan-2-yloxyphenyl)thiourea;hydrochloride (PubChem CID 139878067) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)thiourea;hydrochloride.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)thiourea;hydrochloride
PubChem CID139878067
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name(4-propan-2-yloxyphenyl)thiourea;hydrochloride
SMILESCC(C)Oc1ccc(NC(N)=S)cc1.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-7(2)13-9-5-3-8(4-6-9)12-10(11)14;/h3-7H,1-2H3,(H3,11,12,14);1H
InChIKeyTXVBFTLCKJEMQU-UHFFFAOYSA-N
XLogP2.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(4-propan-2-yloxyphenyl)thiourea
CID 59748887
4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 4952176
2-tert-butyl-1-(4-propan-2-yloxyphenyl)guanidine
CID 55068406
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
1-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)thiourea
CID 133197037
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)thiourea;hydrochloride?
The IUPAC name of (4-propan-2-yloxyphenyl)thiourea;hydrochloride (CID 139878067) is (4-propan-2-yloxyphenyl)thiourea;hydrochloride.
What is the SMILES notation for (4-propan-2-yloxyphenyl)thiourea;hydrochloride?
The canonical SMILES for (4-propan-2-yloxyphenyl)thiourea;hydrochloride is CC(C)Oc1ccc(NC(N)=S)cc1.Cl.
What is the InChIKey of (4-propan-2-yloxyphenyl)thiourea;hydrochloride?
The InChIKey is TXVBFTLCKJEMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.ClH/c1-7(2)13-9-5-3-8(4-6-9)12-10(11)14;/h3-7H,1-2H3,(H3,11,12,14);1H.
What are the key properties of (4-propan-2-yloxyphenyl)thiourea;hydrochloride?
(4-propan-2-yloxyphenyl)thiourea;hydrochloride has a molecular weight of 246.76 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)thiourea;hydrochloride is sourced from PubChem (CID 139878067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).