(1R)-1-(3-chlorophenyl)-2-methoxyethanethiol

C9H11ClOS — CID 144850703

IUPAC(1R)-1-(3-chlorophenyl)-2-methoxyethanethiol
SMILESCOC[C@H](S)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClOS/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,12H,6H2,1H3/t9-/m0/s1
InChIKeyZOXVQTCEQXNUSN-VIFPVBQESA-N
MW202.71 g/mol
LogP2.96
Rot. Bonds3

About (1R)-1-(3-chlorophenyl)-2-methoxyethanethiol

(1R)-1-(3-chlorophenyl)-2-methoxyethanethiol (PubChem CID 144850703) has the molecular formula C9H11ClOS and a molecular weight of 202.71 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-methoxyethanethiol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-methoxyethanethiol
PubChem CID144850703
Molecular FormulaC9H11ClOS
Molecular Weight202.71 g/mol
Exact Mass202.02
IUPAC Name(1R)-1-(3-chlorophenyl)-2-methoxyethanethiol
SMILESCOC[C@H](S)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClOS/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,12H,6H2,1H3/t9-/m0/s1
InChIKeyZOXVQTCEQXNUSN-VIFPVBQESA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.96
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-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 104881782
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
CID 114773109
1-(1-bromo-5-methoxy-3-methylpentan-2-yl)-3-chlorobenzene
CID 116500349
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
N-[1-(3-chlorophenyl)-2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 114032690

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-methoxyethanethiol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-methoxyethanethiol (CID 144850703) is (1R)-1-(3-chlorophenyl)-2-methoxyethanethiol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-methoxyethanethiol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-methoxyethanethiol is COC[C@H](S)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-methoxyethanethiol?
The InChIKey is ZOXVQTCEQXNUSN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11ClOS/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,12H,6H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-methoxyethanethiol?
(1R)-1-(3-chlorophenyl)-2-methoxyethanethiol has a molecular weight of 202.71 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-methoxyethanethiol is sourced from PubChem (CID 144850703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).