1-amino-1-sulfanylethanol

C2H7NOS — CID 87381402

IUPAC1-amino-1-sulfanylethanol
SMILESCC(N)(O)S
InChIInChI=1S/C2H7NOS/c1-2(3,4)5/h4-5H,3H2,1H3
InChIKeyCEZHDTACEWBABH-UHFFFAOYSA-N
MW93.15 g/mol
LogP-0.46
Rot. Bonds

About 1-amino-1-sulfanylethanol

1-amino-1-sulfanylethanol (PubChem CID 87381402) has the molecular formula C2H7NOS and a molecular weight of 93.15 g/mol. Its IUPAC name is 1-amino-1-sulfanylethanol.

Molecular Properties

Compound Name1-amino-1-sulfanylethanol
PubChem CID87381402
Molecular FormulaC2H7NOS
Molecular Weight93.15 g/mol
Exact Mass93.02
IUPAC Name1-amino-1-sulfanylethanol
SMILESCC(N)(O)S
InChIInChI=1S/C2H7NOS/c1-2(3,4)5/h4-5H,3H2,1H3
InChIKeyCEZHDTACEWBABH-UHFFFAOYSA-N
XLogP-0.46
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-aminopropan-2-ol;copper
CID 87854275
alumane;2-aminopropan-2-ol
CID 175409057
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
1-amino-1-bromoethanol
CID 158110209
2-amino-2-sulfanylpropanoic acid
CID 22715625
CID 88634394
CID 88634394
alumane;1-amino-1-iodoethanol
CID 173452608
(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol
CID 89174988
2-amino-1-sulfanylpropane-1,1-diol
CID 22614078
2-aminobutan-2-ol;propane
CID 174346487
CID 175795972
CID 175795972
ethane-1,1,1-triol;hydrochloride
CID 21272946

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-sulfanylethanol?
The IUPAC name of 1-amino-1-sulfanylethanol (CID 87381402) is 1-amino-1-sulfanylethanol.
What is the SMILES notation for 1-amino-1-sulfanylethanol?
The canonical SMILES for 1-amino-1-sulfanylethanol is CC(N)(O)S.
What is the InChIKey of 1-amino-1-sulfanylethanol?
The InChIKey is CEZHDTACEWBABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS/c1-2(3,4)5/h4-5H,3H2,1H3.
What are the key properties of 1-amino-1-sulfanylethanol?
1-amino-1-sulfanylethanol has a molecular weight of 93.15 g/mol, XLogP of -0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-sulfanylethanol is sourced from PubChem (CID 87381402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).