5-chloro-2-hydroxybenzenecarbothioamide

C7H6ClNOS — CID 135760562

IUPAC5-chloro-2-hydroxybenzenecarbothioamide
SMILESNC(=S)c1cc(Cl)ccc1O
InChIInChI=1S/C7H6ClNOS/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)
InChIKeyYEYUGGJKVHPADR-UHFFFAOYSA-N
MW187.65 g/mol
LogP1.68
Rot. Bonds1

About 5-chloro-2-hydroxybenzenecarbothioamide

5-chloro-2-hydroxybenzenecarbothioamide (PubChem CID 135760562) has the molecular formula C7H6ClNOS and a molecular weight of 187.65 g/mol. Its IUPAC name is 5-chloro-2-hydroxybenzenecarbothioamide.

Molecular Properties

Compound Name5-chloro-2-hydroxybenzenecarbothioamide
PubChem CID135760562
Molecular FormulaC7H6ClNOS
Molecular Weight187.65 g/mol
Exact Mass186.99
IUPAC Name5-chloro-2-hydroxybenzenecarbothioamide
SMILESNC(=S)c1cc(Cl)ccc1O
InChIInChI=1S/C7H6ClNOS/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)
InChIKeyYEYUGGJKVHPADR-UHFFFAOYSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide
CID 79503598
5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
CID 88741905
5-chloro-2-pyrrolidin-1-ylbenzenecarbothioamide
CID 62494678
4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 3406457
calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
5-chloro-2-[2-hydroxypropyl(methyl)amino]benzenecarbothioamide
CID 62493541
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
CID 54988318
(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione
CID 135635018
4-chloro-2-[(Z)-1-(methylideneamino)oxyprop-1-enyl]phenol
CID 142810870
5-chloro-2-(2,4,5-trichlorophenoxy)benzenecarbothioamide
CID 63519450
2-(azepan-1-yl)-5-chlorobenzenecarbothioamide
CID 62494679

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxybenzenecarbothioamide?
The IUPAC name of 5-chloro-2-hydroxybenzenecarbothioamide (CID 135760562) is 5-chloro-2-hydroxybenzenecarbothioamide.
What is the SMILES notation for 5-chloro-2-hydroxybenzenecarbothioamide?
The canonical SMILES for 5-chloro-2-hydroxybenzenecarbothioamide is NC(=S)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxybenzenecarbothioamide?
The InChIKey is YEYUGGJKVHPADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNOS/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11).
What are the key properties of 5-chloro-2-hydroxybenzenecarbothioamide?
5-chloro-2-hydroxybenzenecarbothioamide has a molecular weight of 187.65 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxybenzenecarbothioamide is sourced from PubChem (CID 135760562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).