1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea

C14H18N2S — CID 4997238

IUPAC1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILESC=CCNC(=S)NC1CCCc2ccccc21
InChIInChI=1S/C14H18N2S/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h2-4,6,8,13H,1,5,7,9-10H2,(H2,15,16,17)
InChIKeySHQNXVXQMSCHPY-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.71
Rot. Bonds3

About 1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea

1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea (PubChem CID 4997238) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea.

Molecular Properties

Compound Name1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
PubChem CID4997238
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILESC=CCNC(=S)NC1CCCc2ccccc21
InChIInChI=1S/C14H18N2S/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h2-4,6,8,13H,1,5,7,9-10H2,(H2,15,16,17)
InChIKeySHQNXVXQMSCHPY-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669343
1-(4-prop-2-enoxyphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 100642176
1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 7744929
1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 62304428
1-(4-chlorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669333
1-(3-prop-2-enoxyphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 100642206
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[4-(tritiomethyl)phenyl]methyl]thiourea
CID 59088084
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 6596704
1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652717
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100641487
1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652714
1-[4-(difluoromethylsulfanyl)phenyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 2453667

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The IUPAC name of 1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea (CID 4997238) is 1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea.
What is the SMILES notation for 1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The canonical SMILES for 1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea is C=CCNC(=S)NC1CCCc2ccccc21.
What is the InChIKey of 1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The InChIKey is SHQNXVXQMSCHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h2-4,6,8,13H,1,5,7,9-10H2,(H2,15,16,17).
What are the key properties of 1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea has a molecular weight of 246.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea is sourced from PubChem (CID 4997238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).