1-(3-aminophenyl)-3-prop-2-enylthiourea

C10H13N3S — CID 2210543

IUPAC1-(3-aminophenyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1cccc(N)c1
InChIInChI=1S/C10H13N3S/c1-2-6-12-10(14)13-9-5-3-4-8(11)7-9/h2-5,7H,1,6,11H2,(H2,12,13,14)
InChIKeyHWKFPIGVGLBKTI-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.74
Rot. Bonds3

About 1-(3-aminophenyl)-3-prop-2-enylthiourea

1-(3-aminophenyl)-3-prop-2-enylthiourea (PubChem CID 2210543) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-prop-2-enylthiourea
PubChem CID2210543
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-(3-aminophenyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1cccc(N)c1
InChIInChI=1S/C10H13N3S/c1-2-6-12-10(14)13-9-5-3-4-8(11)7-9/h2-5,7H,1,6,11H2,(H2,12,13,14)
InChIKeyHWKFPIGVGLBKTI-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenylthiourea
CID 676454
Diphenylthiourea
CID 700999
1-Allyl-3-phenyl-2-thiourea
CID 1549745
1-Methyl-3-phenylthiourea
CID 698294
Thiourea, N-ethyl-N-phenyl-
CID 825369
4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione
CID 768560
4-Fluorophenylthiourea
CID 693061
1-(p-(Dimethylamino)phenyl)thiourea
CID 2758514
1-Phenyl-3-propyl-2-thiourea
CID 2760408
1,3-Bis(2-fluorophenyl)-2-thiourea
CID 714569
(3-Fluorophenyl)thiourea
CID 2734799
Thiourea, N-ethyl-N'-phenyl-
CID 2063659

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-prop-2-enylthiourea?
The IUPAC name of 1-(3-aminophenyl)-3-prop-2-enylthiourea (CID 2210543) is 1-(3-aminophenyl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(3-aminophenyl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(3-aminophenyl)-3-prop-2-enylthiourea is C=CCNC(=S)Nc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-prop-2-enylthiourea?
The InChIKey is HWKFPIGVGLBKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-6-12-10(14)13-9-5-3-4-8(11)7-9/h2-5,7H,1,6,11H2,(H2,12,13,14).
What are the key properties of 1-(3-aminophenyl)-3-prop-2-enylthiourea?
1-(3-aminophenyl)-3-prop-2-enylthiourea has a molecular weight of 207.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-prop-2-enylthiourea is sourced from PubChem (CID 2210543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).