2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol

C12H18OS — CID 82126770

IUPAC2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
SMILESCOc1ccc(CCS)cc1C(C)C
InChIInChI=1S/C12H18OS/c1-9(2)11-8-10(6-7-14)4-5-12(11)13-3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyYDNWBONBRUJVPN-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.29
Rot. Bonds4

About 2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol

2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol (PubChem CID 82126770) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
PubChem CID82126770
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
SMILESCOc1ccc(CCS)cc1C(C)C
InChIInChI=1S/C12H18OS/c1-9(2)11-8-10(6-7-14)4-5-12(11)13-3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyYDNWBONBRUJVPN-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
3-(4-methoxy-3-propan-2-ylphenyl)butane-1-thiol
CID 83926790
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195968
2-(4-methoxy-3-propan-2-ylanilino)ethanethiol
CID 115223639
6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine
CID 83926840
4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834
1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
CID 11569608

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol?
The IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol (CID 82126770) is 2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol?
The canonical SMILES for 2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol is COc1ccc(CCS)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol?
The InChIKey is YDNWBONBRUJVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-9(2)11-8-10(6-7-14)4-5-12(11)13-3/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol?
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol has a molecular weight of 210.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol is sourced from PubChem (CID 82126770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).