1-[amino(sulfanyl)amino]ethanol

C2H8N2OS — CID 174685104

IUPAC1-[amino(sulfanyl)amino]ethanol
SMILESCC(O)N(N)S
InChIInChI=1S/C2H8N2OS/c1-2(5)4(3)6/h2,5-6H,3H2,1H3
InChIKeyLLIZZWHZTFEULV-UHFFFAOYSA-N
MW108.17 g/mol
LogP-0.65
Rot. Bonds1

About 1-[amino(sulfanyl)amino]ethanol

1-[amino(sulfanyl)amino]ethanol (PubChem CID 174685104) has the molecular formula C2H8N2OS and a molecular weight of 108.17 g/mol. Its IUPAC name is 1-[amino(sulfanyl)amino]ethanol.

Molecular Properties

Compound Name1-[amino(sulfanyl)amino]ethanol
PubChem CID174685104
Molecular FormulaC2H8N2OS
Molecular Weight108.17 g/mol
Exact Mass108.04
IUPAC Name1-[amino(sulfanyl)amino]ethanol
SMILESCC(O)N(N)S
InChIInChI=1S/C2H8N2OS/c1-2(5)4(3)6/h2,5-6H,3H2,1H3
InChIKeyLLIZZWHZTFEULV-UHFFFAOYSA-N
XLogP-0.65
TPSA49.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
molybdenum;bis(propan-2-ol)
CID 139825284
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
azane;propan-2-ol;hydrochloride
CID 88500405
hydroxylamine;propan-2-ol
CID 22024851
1-[bis(1-hydroxyethyl)amino]ethanol;iron
CID 87467389
1-[methylamino(sulfanyl)amino]propan-2-ol
CID 174895381
1-[1-hydroxyethyl(propan-2-yl)amino]ethanol
CID 57090083
1-[1-hydroxyethyl(methyl)amino]ethanol;hydrate
CID 173435253
carbamodithioic acid;propan-2-ol
CID 71434937
1-[hydroxy(2-methylpropyl)amino]ethanol
CID 139501207

Frequently Asked Questions

What is the IUPAC name of 1-[amino(sulfanyl)amino]ethanol?
The IUPAC name of 1-[amino(sulfanyl)amino]ethanol (CID 174685104) is 1-[amino(sulfanyl)amino]ethanol.
What is the SMILES notation for 1-[amino(sulfanyl)amino]ethanol?
The canonical SMILES for 1-[amino(sulfanyl)amino]ethanol is CC(O)N(N)S.
What is the InChIKey of 1-[amino(sulfanyl)amino]ethanol?
The InChIKey is LLIZZWHZTFEULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2OS/c1-2(5)4(3)6/h2,5-6H,3H2,1H3.
What are the key properties of 1-[amino(sulfanyl)amino]ethanol?
1-[amino(sulfanyl)amino]ethanol has a molecular weight of 108.17 g/mol, XLogP of -0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(sulfanyl)amino]ethanol is sourced from PubChem (CID 174685104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).