(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol

C7H10ClNOS — CID 69219309

IUPAC(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
SMILESCc1csc([C@@H](O)CN)c1Cl
InChIInChI=1S/C7H10ClNOS/c1-4-3-11-7(6(4)8)5(10)2-9/h3,5,10H,2,9H2,1H3/t5-/m0/s1
InChIKeyPZSSRDXJZXDCIS-YFKPBYRVSA-N
MW191.68 g/mol
LogP1.70
Rot. Bonds2

About (1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol

(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol (PubChem CID 69219309) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is (1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
PubChem CID69219309
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
SMILESCc1csc([C@@H](O)CN)c1Cl
InChIInChI=1S/C7H10ClNOS/c1-4-3-11-7(6(4)8)5(10)2-9/h3,5,10H,2,9H2,1H3/t5-/m0/s1
InChIKeyPZSSRDXJZXDCIS-YFKPBYRVSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-3-methylbut-3-en-1-ol
CID 103408113
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol
CID 103406633
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894
1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
CID 103408155
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
CID 103407933
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103407934
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol
CID 103408220
1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol
CID 103408117
3-amino-1-(3-chloro-4-methylthiophen-2-yl)-2-(3-chlorophenyl)propan-1-ol
CID 103406591

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The IUPAC name of (1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol (CID 69219309) is (1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol is Cc1csc([C@@H](O)CN)c1Cl.
What is the InChIKey of (1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The InChIKey is PZSSRDXJZXDCIS-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10ClNOS/c1-4-3-11-7(6(4)8)5(10)2-9/h3,5,10H,2,9H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol has a molecular weight of 191.68 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 69219309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).