1,2,3,4-tetrahydronaphthalen-2-ylthiourea

C11H14N2S — CID 3035112

IUPAC1,2,3,4-tetrahydronaphthalen-2-ylthiourea
SMILESNC(=S)NC1CCc2ccccc2C1
InChIInChI=1S/C11H14N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H3,12,13,14)
InChIKeyRQTPBLRMULNSNS-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.38
Rot. Bonds1

About 1,2,3,4-tetrahydronaphthalen-2-ylthiourea

1,2,3,4-tetrahydronaphthalen-2-ylthiourea (PubChem CID 3035112) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-ylthiourea.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-ylthiourea
PubChem CID3035112
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-ylthiourea
SMILESNC(=S)NC1CCc2ccccc2C1
InChIInChI=1S/C11H14N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H3,12,13,14)
InChIKeyRQTPBLRMULNSNS-UHFFFAOYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Aminotetralin
CID 34677
(2-Phenylethyl)thiourea
CID 735845
N-methyl-N'-phenethylthiourea
CID 2725299
(S)-1,2,3,4-Tetrahydro-2-naphthylamine
CID 9964136
1-Cyclohexyl-3-(1-phenyl-ethyl)-thiourea
CID 2788079
1,3-Bis(2-phenylethyl)thiourea
CID 799650
n-Propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 18331743
1-(3-Phenylpropyl)-2-thiourea
CID 2760407
1-Cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 5237269
N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331756
1-Benzyl-3-cyclohexylthiourea
CID 693948
(1-Phenylethyl)thiourea
CID 2725262

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-ylthiourea?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-ylthiourea (CID 3035112) is 1,2,3,4-tetrahydronaphthalen-2-ylthiourea.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-ylthiourea?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-ylthiourea is NC(=S)NC1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-ylthiourea?
The InChIKey is RQTPBLRMULNSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H3,12,13,14).
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-ylthiourea?
1,2,3,4-tetrahydronaphthalen-2-ylthiourea has a molecular weight of 206.31 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-ylthiourea is sourced from PubChem (CID 3035112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).