1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol

C7H11NO2S — CID 170821259

IUPAC1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol
SMILESOC(CS)C(O)c1cc[nH]c1
InChIInChI=1S/C7H11NO2S/c9-6(4-11)7(10)5-1-2-8-3-5/h1-3,6-11H,4H2
InChIKeyNFIDSOIVGGOOOD-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.34
Rot. Bonds3

About 1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol

1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol (PubChem CID 170821259) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol
PubChem CID170821259
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol
SMILESOC(CS)C(O)c1cc[nH]c1
InChIInChI=1S/C7H11NO2S/c9-6(4-11)7(10)5-1-2-8-3-5/h1-3,6-11H,4H2
InChIKeyNFIDSOIVGGOOOD-UHFFFAOYSA-N
XLogP0.34
TPSA56.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-sulfanylpropane-1,2-diol
CID 170820927
(S)-cyclopropyl(1H-pyrrol-3-yl)methanol
CID 141285307
1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol
CID 170820677
3-amino-1-(1H-pyrrol-3-yl)propan-1-ol
CID 82280085
1-(4-tert-butylphenyl)-3-sulfanylpropane-1,2-diol
CID 170820129
1-(3,5-ditert-butylphenyl)-3-sulfanylpropane-1,2-diol
CID 170821080
3-[4-(1,2-dihydroxy-3-sulfanylpropyl)phenyl]-1H-imidazole-2-thione
CID 170820691
1-(6-methyl-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819362
1-(6-aminonaphthalen-2-yl)-3-sulfanylpropane-1,2-diol
CID 170820652
1-(6-amino-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819326
1-(6-hydroxynaphthalen-2-yl)-3-sulfanylpropane-1,2-diol
CID 170820620
1-(4-amino-3-hydroxyphenyl)-3-sulfanylpropane-1,2-diol
CID 170819644

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol?
The IUPAC name of 1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol (CID 170821259) is 1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol?
The canonical SMILES for 1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol is OC(CS)C(O)c1cc[nH]c1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol?
The InChIKey is NFIDSOIVGGOOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-6(4-11)7(10)5-1-2-8-3-5/h1-3,6-11H,4H2.
What are the key properties of 1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol?
1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol has a molecular weight of 173.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol is sourced from PubChem (CID 170821259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).