7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol

C13H18S — CID 170001118

IUPAC7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol
SMILESCc1cc(C(C)C)c(S)c2c1CCC2
InChIInChI=1S/C13H18S/c1-8(2)12-7-9(3)10-5-4-6-11(10)13(12)14/h7-8,14H,4-6H2,1-3H3
InChIKeyVXJKMOTXHHFNMN-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.90
Rot. Bonds1

About 7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol

7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol (PubChem CID 170001118) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol.

Molecular Properties

Compound Name7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol
PubChem CID170001118
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol
SMILESCc1cc(C(C)C)c(S)c2c1CCC2
InChIInChI=1S/C13H18S/c1-8(2)12-7-9(3)10-5-4-6-11(10)13(12)14/h7-8,14H,4-6H2,1-3H3
InChIKeyVXJKMOTXHHFNMN-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol?
The IUPAC name of 7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol (CID 170001118) is 7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol.
What is the SMILES notation for 7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol?
The canonical SMILES for 7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol is Cc1cc(C(C)C)c(S)c2c1CCC2.
What is the InChIKey of 7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol?
The InChIKey is VXJKMOTXHHFNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-8(2)12-7-9(3)10-5-4-6-11(10)13(12)14/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol?
7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol has a molecular weight of 206.35 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-propan-2-yl-2,3-dihydro-1H-indene-4-thiol is sourced from PubChem (CID 170001118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).