1-amino-2,2-bis(sulfanyl)ethanol

C2H7NOS2 — CID 57063899

IUPAC1-amino-2,2-bis(sulfanyl)ethanol
SMILESNC(O)C(S)S
InChIInChI=1S/C2H7NOS2/c3-1(4)2(5)6/h1-2,4-6H,3H2
InChIKeyZVHLNRJOYWSBLL-UHFFFAOYSA-N
MW125.22 g/mol
LogP-0.55
Rot. Bonds1

About 1-amino-2,2-bis(sulfanyl)ethanol

1-amino-2,2-bis(sulfanyl)ethanol (PubChem CID 57063899) has the molecular formula C2H7NOS2 and a molecular weight of 125.22 g/mol. Its IUPAC name is 1-amino-2,2-bis(sulfanyl)ethanol.

Molecular Properties

Compound Name1-amino-2,2-bis(sulfanyl)ethanol
PubChem CID57063899
Molecular FormulaC2H7NOS2
Molecular Weight125.22 g/mol
Exact Mass125.00
IUPAC Name1-amino-2,2-bis(sulfanyl)ethanol
SMILESNC(O)C(S)S
InChIInChI=1S/C2H7NOS2/c3-1(4)2(5)6/h1-2,4-6H,3H2
InChIKeyZVHLNRJOYWSBLL-UHFFFAOYSA-N
XLogP-0.55
TPSA46.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

(S)-amino(phosphanyl)methanol
CID 173485224
2-sulfanylethane-1,1,2-triol
CID 14440976
1-aminoethanethiol;gold
CID 87377143
(2S,3S)-1,4-bis(sulfanyl)butane-1,2,3,4-tetrol
CID 141050867
1-aminoethanol;dihydrate
CID 174522772
nickel;1-sulfanylethanol
CID 174917058
(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol
CID 89174988
(2R)-3-aminobutan-2-ol
CID 141331265
(2S)-3-aminobutan-2-ol
CID 90804830
(1R)-1-aminoethane-1,2-diol
CID 140649256
amino-[amino(hydroxy)methoxy]methanol
CID 154164079
[bis[hydroxy(sulfanyl)methyl]amino]-sulfanylmethanol
CID 57074589

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2-bis(sulfanyl)ethanol?
The IUPAC name of 1-amino-2,2-bis(sulfanyl)ethanol (CID 57063899) is 1-amino-2,2-bis(sulfanyl)ethanol.
What is the SMILES notation for 1-amino-2,2-bis(sulfanyl)ethanol?
The canonical SMILES for 1-amino-2,2-bis(sulfanyl)ethanol is NC(O)C(S)S.
What is the InChIKey of 1-amino-2,2-bis(sulfanyl)ethanol?
The InChIKey is ZVHLNRJOYWSBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS2/c3-1(4)2(5)6/h1-2,4-6H,3H2.
What are the key properties of 1-amino-2,2-bis(sulfanyl)ethanol?
1-amino-2,2-bis(sulfanyl)ethanol has a molecular weight of 125.22 g/mol, XLogP of -0.55, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2-bis(sulfanyl)ethanol is sourced from PubChem (CID 57063899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).