N-(5-chloro-2-hydroxyphenyl)methanethioamide

C7H6ClNOS — CID 145012471

IUPACN-(5-chloro-2-hydroxyphenyl)methanethioamide
SMILESOc1ccc(Cl)cc1NC=S
InChIInChI=1S/C7H6ClNOS/c8-5-1-2-7(10)6(3-5)9-4-11/h1-4,10H,(H,9,11)
InChIKeySZEFCFDTSBNXQN-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.41
Rot. Bonds2

About N-(5-chloro-2-hydroxyphenyl)methanethioamide

N-(5-chloro-2-hydroxyphenyl)methanethioamide (PubChem CID 145012471) has the molecular formula C7H6ClNOS and a molecular weight of 187.65 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)methanethioamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)methanethioamide
PubChem CID145012471
Molecular FormulaC7H6ClNOS
Molecular Weight187.65 g/mol
Exact Mass186.99
IUPAC NameN-(5-chloro-2-hydroxyphenyl)methanethioamide
SMILESOc1ccc(Cl)cc1NC=S
InChIInChI=1S/C7H6ClNOS/c8-5-1-2-7(10)6(3-5)9-4-11/h1-4,10H,(H,9,11)
InChIKeySZEFCFDTSBNXQN-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)methanethioamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)methanethioamide (CID 145012471) is N-(5-chloro-2-hydroxyphenyl)methanethioamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)methanethioamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)methanethioamide is Oc1ccc(Cl)cc1NC=S.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)methanethioamide?
The InChIKey is SZEFCFDTSBNXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNOS/c8-5-1-2-7(10)6(3-5)9-4-11/h1-4,10H,(H,9,11).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)methanethioamide?
N-(5-chloro-2-hydroxyphenyl)methanethioamide has a molecular weight of 187.65 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)methanethioamide is sourced from PubChem (CID 145012471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).