propane;4-prop-1-en-2-yl-1H-indole-3-thiol

C14H19NS — CID 143564482

IUPACpropane;4-prop-1-en-2-yl-1H-indole-3-thiol
SMILESC=C(C)c1cccc2[nH]cc(S)c12.CCC
InChIInChI=1S/C11H11NS.C3H8/c1-7(2)8-4-3-5-9-11(8)10(13)6-12-9;1-3-2/h3-6,12-13H,1H2,2H3;3H2,1-2H3
InChIKeyIFKZAOQILHHBRN-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.91
Rot. Bonds1

About propane;4-prop-1-en-2-yl-1H-indole-3-thiol

propane;4-prop-1-en-2-yl-1H-indole-3-thiol (PubChem CID 143564482) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is propane;4-prop-1-en-2-yl-1H-indole-3-thiol.

Molecular Properties

Compound Namepropane;4-prop-1-en-2-yl-1H-indole-3-thiol
PubChem CID143564482
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Namepropane;4-prop-1-en-2-yl-1H-indole-3-thiol
SMILESC=C(C)c1cccc2[nH]cc(S)c12.CCC
InChIInChI=1S/C11H11NS.C3H8/c1-7(2)8-4-3-5-9-11(8)10(13)6-12-9;1-3-2/h3-6,12-13H,1H2,2H3;3H2,1-2H3
InChIKeyIFKZAOQILHHBRN-UHFFFAOYSA-N
XLogP4.91
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-prop-1-en-2-yl-1H-indole
CID 143884090
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
3-sulfanyl-1H-indole-4-carbonitrile
CID 155575103
ethyl 3-methyl-1H-indole-4-carboxylate
CID 90251191
2-propan-2-yl-1,3-bis(prop-1-en-2-yl)benzene
CID 141209236
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
3-(ethylsulfonylmethyl)-1H-indole-4-carboxylic acid
CID 117171550
ethyl 4-hydroxy-1H-indole-3-carboxylate
CID 13186947
3-methyl-1H-indole-4-carboxylate
CID 51777087
2,3-bis(prop-1-en-2-yl)phenol
CID 68747547
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
4-ethoxy-3-ethyl-1H-indole
CID 171816854

Frequently Asked Questions

What is the IUPAC name of propane;4-prop-1-en-2-yl-1H-indole-3-thiol?
The IUPAC name of propane;4-prop-1-en-2-yl-1H-indole-3-thiol (CID 143564482) is propane;4-prop-1-en-2-yl-1H-indole-3-thiol.
What is the SMILES notation for propane;4-prop-1-en-2-yl-1H-indole-3-thiol?
The canonical SMILES for propane;4-prop-1-en-2-yl-1H-indole-3-thiol is C=C(C)c1cccc2[nH]cc(S)c12.CCC.
What is the InChIKey of propane;4-prop-1-en-2-yl-1H-indole-3-thiol?
The InChIKey is IFKZAOQILHHBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C3H8/c1-7(2)8-4-3-5-9-11(8)10(13)6-12-9;1-3-2/h3-6,12-13H,1H2,2H3;3H2,1-2H3.
What are the key properties of propane;4-prop-1-en-2-yl-1H-indole-3-thiol?
propane;4-prop-1-en-2-yl-1H-indole-3-thiol has a molecular weight of 233.38 g/mol, XLogP of 4.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;4-prop-1-en-2-yl-1H-indole-3-thiol is sourced from PubChem (CID 143564482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).