3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide

C9H14N2O3S2 — CID 79671984

IUPAC3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CSCC(O)CO
InChIInChI=1S/C9H14N2O3S2/c10-11-9(14)8-6(1-2-16-8)4-15-5-7(13)3-12/h1-2,7,12-13H,3-5,10H2,(H,11,14)
InChIKeyBNLOWUSMKRHVIT-UHFFFAOYSA-N
MW262.36 g/mol
LogP-0.06
Rot. Bonds6

About 3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide

3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide (PubChem CID 79671984) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide
PubChem CID79671984
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC Name3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CSCC(O)CO
InChIInChI=1S/C9H14N2O3S2/c10-11-9(14)8-6(1-2-16-8)4-15-5-7(13)3-12/h1-2,7,12-13H,3-5,10H2,(H,11,14)
InChIKeyBNLOWUSMKRHVIT-UHFFFAOYSA-N
XLogP-0.06
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methylthiophene-2-carbohydrazide
CID 2760084
tert-butyl N-[(3-methylthiophene-2-carbonyl)amino]carbamate
CID 2574803
4-methyl-N'-propanoylthiophene-2-carbohydrazide
CID 20616541
N'-(thiophene-3-carbonyl)thiophene-2-carbohydrazide
CID 30481810
3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide
CID 47402265
Thiophene-2,3-dicarbohydrazide
CID 68137077
N'-[(3R)-3-amino-2-hydroxy-5-propan-2-ylsulfanylpentanoyl]-3-methylthiophene-2-carbohydrazide
CID 69797816
N-(2-hydroxy-2-methylpropoxy)-3-methylthiophene-2-carboxamide
CID 89833739
3-Formylthiophene-2-carbohydrazide
CID 90937110
N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide
CID 118530770
N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide
CID 155372017
Propane-1,2-diol;thiophene-2-carboxamide
CID 161868720

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide (CID 79671984) is 3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide is NNC(=O)c1sccc1CSCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide?
The InChIKey is BNLOWUSMKRHVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c10-11-9(14)8-6(1-2-16-8)4-15-5-7(13)3-12/h1-2,7,12-13H,3-5,10H2,(H,11,14).
What are the key properties of 3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide?
3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide has a molecular weight of 262.36 g/mol, XLogP of -0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 79671984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).