bis(2-hydroxyethylsulfanyl)methanethione

C5H10O2S3 — CID 19835604

IUPACbis(2-hydroxyethylsulfanyl)methanethione
SMILESOCCSC(=S)SCCO
InChIInChI=1S/C5H10O2S3/c6-1-3-9-5(8)10-4-2-7/h6-7H,1-4H2
InChIKeyFLWTUTLQCAJKAK-UHFFFAOYSA-N
MW198.33 g/mol
LogP0.72
Rot. Bonds4

About bis(2-hydroxyethylsulfanyl)methanethione

bis(2-hydroxyethylsulfanyl)methanethione (PubChem CID 19835604) has the molecular formula C5H10O2S3 and a molecular weight of 198.33 g/mol. Its IUPAC name is bis(2-hydroxyethylsulfanyl)methanethione.

Molecular Properties

Compound Namebis(2-hydroxyethylsulfanyl)methanethione
PubChem CID19835604
Molecular FormulaC5H10O2S3
Molecular Weight198.33 g/mol
Exact Mass197.98
IUPAC Namebis(2-hydroxyethylsulfanyl)methanethione
SMILESOCCSC(=S)SCCO
InChIInChI=1S/C5H10O2S3/c6-1-3-9-5(8)10-4-2-7/h6-7H,1-4H2
InChIKeyFLWTUTLQCAJKAK-UHFFFAOYSA-N
XLogP0.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

copper;2-hydroxyethyl carbamodithioate
CID 160591055
bis(3,4,4-trifluorobut-3-enylsulfanyl)methanethione
CID 175727421
2-octylsulfanylcarbothioylsulfanylacetonitrile
CID 23350144
2-(disulfanyl)ethanol
CID 18764697
benzylsulfanyl(2-hydroxyethylsulfanyl)methanethione;(4S,7R)-4-methyl-7-propan-2-yloxy-2-sulfanyloctane-3,6-dione
CID 177172456
[2-(2-hydroxyethylsulfanyl)-2-oxoethyl]-trimethylazanium
CID 91195049
2-ethylsulfanylcarbothioylsulfanylacetonitrile
CID 23350141
dodecylsulfanyl(prop-2-ynylsulfanyl)methanethione
CID 175444310
2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
CID 72510312
2-(2-hydroxyethylsulfanyltellanylsulfanyl)ethanol
CID 101072542
2-(disulfanyl)ethanol;ethane-1,2-diol
CID 175138684
2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol
CID 59080451

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethylsulfanyl)methanethione?
The IUPAC name of bis(2-hydroxyethylsulfanyl)methanethione (CID 19835604) is bis(2-hydroxyethylsulfanyl)methanethione.
What is the SMILES notation for bis(2-hydroxyethylsulfanyl)methanethione?
The canonical SMILES for bis(2-hydroxyethylsulfanyl)methanethione is OCCSC(=S)SCCO.
What is the InChIKey of bis(2-hydroxyethylsulfanyl)methanethione?
The InChIKey is FLWTUTLQCAJKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S3/c6-1-3-9-5(8)10-4-2-7/h6-7H,1-4H2.
What are the key properties of bis(2-hydroxyethylsulfanyl)methanethione?
bis(2-hydroxyethylsulfanyl)methanethione has a molecular weight of 198.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethylsulfanyl)methanethione is sourced from PubChem (CID 19835604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).