(1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol

C10H18S — CID 124636135

IUPAC(1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol
SMILESCC1=CC[C@@](S)(C(C)C)CC1
InChIInChI=1S/C10H18S/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m0/s1
InChIKeyQMZKFUZYDXGTFL-JTQLQIEISA-N
MW170.32 g/mol
LogP3.44
Rot. Bonds1

About (1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol

(1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol (PubChem CID 124636135) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol.

Molecular Properties

Compound Name(1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol
PubChem CID124636135
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol
SMILESCC1=CC[C@@](S)(C(C)C)CC1
InChIInChI=1S/C10H18S/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m0/s1
InChIKeyQMZKFUZYDXGTFL-JTQLQIEISA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol?
The IUPAC name of (1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol (CID 124636135) is (1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol.
What is the SMILES notation for (1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol?
The canonical SMILES for (1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol is CC1=CC[C@@](S)(C(C)C)CC1.
What is the InChIKey of (1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol?
The InChIKey is QMZKFUZYDXGTFL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18S/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol?
(1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol is sourced from PubChem (CID 124636135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).