2,3-dihydro-1H-indene-4-carbothioamide

C10H11NS — CID 151070386

IUPAC2,3-dihydro-1H-indene-4-carbothioamide
SMILESNC(=S)c1cccc2c1CCC2
InChIInChI=1S/C10H11NS/c11-10(12)9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2,(H2,11,12)
InChIKeyMIAANUKZGKWKSZ-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.81
Rot. Bonds1

About 2,3-dihydro-1H-indene-4-carbothioamide

2,3-dihydro-1H-indene-4-carbothioamide (PubChem CID 151070386) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-4-carbothioamide.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-4-carbothioamide
PubChem CID151070386
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2,3-dihydro-1H-indene-4-carbothioamide
SMILESNC(=S)c1cccc2c1CCC2
InChIInChI=1S/C10H11NS/c11-10(12)9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2,(H2,11,12)
InChIKeyMIAANUKZGKWKSZ-UHFFFAOYSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide
CID 67610291
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
2,2-dibromo-1-(2,3-dihydro-1H-inden-4-yl)ethanone
CID 87520921
1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 14994244
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanethioamide
CID 82083468
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)guanidine
CID 129185211
2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane
CID 143660749
2,3-dihydro-1H-inden-4-amine;N,N-dimethylmethanamine
CID 174754573
pentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-33,34,35,36-tetrol
CID 14976551

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-4-carbothioamide?
The IUPAC name of 2,3-dihydro-1H-indene-4-carbothioamide (CID 151070386) is 2,3-dihydro-1H-indene-4-carbothioamide.
What is the SMILES notation for 2,3-dihydro-1H-indene-4-carbothioamide?
The canonical SMILES for 2,3-dihydro-1H-indene-4-carbothioamide is NC(=S)c1cccc2c1CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene-4-carbothioamide?
The InChIKey is MIAANUKZGKWKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c11-10(12)9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2,(H2,11,12).
What are the key properties of 2,3-dihydro-1H-indene-4-carbothioamide?
2,3-dihydro-1H-indene-4-carbothioamide has a molecular weight of 177.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-4-carbothioamide is sourced from PubChem (CID 151070386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).