2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide

C11H12ClNOS — CID 62495370

IUPAC2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1OCC1CC1
InChIInChI=1S/C11H12ClNOS/c12-8-2-1-3-9(10(8)11(13)15)14-6-7-4-5-7/h1-3,7H,4-6H2,(H2,13,15)
InChIKeyIFMZABLWQCBWKC-UHFFFAOYSA-N
MW241.74 g/mol
LogP2.76
Rot. Bonds4

About 2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide

2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide (PubChem CID 62495370) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide
PubChem CID62495370
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1OCC1CC1
InChIInChI=1S/C11H12ClNOS/c12-8-2-1-3-9(10(8)11(13)15)14-6-7-4-5-7/h1-3,7H,4-6H2,(H2,13,15)
InChIKeyIFMZABLWQCBWKC-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 62497722
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
CID 114323500
2-bromo-6-(cyclohexylmethoxy)benzenecarbothioamide
CID 114882939
2-chloro-6-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 62496555
2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 62496881
2-chloro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 113277340
2-chloro-6-(3-hydroxy-3-methylbutoxy)benzenecarbothioamide
CID 113277332
2-chloro-6-(3-phenylpropoxy)benzenecarbothioamide
CID 62496562
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarbothioamide
CID 114322949
2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide
CID 114322938
2-(2-carbamothioyl-3-chlorophenoxy)-N,N-dimethylacetamide
CID 113277323
2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 63937150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide?
The IUPAC name of 2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide (CID 62495370) is 2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide?
The canonical SMILES for 2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide is NC(=S)c1c(Cl)cccc1OCC1CC1.
What is the InChIKey of 2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide?
The InChIKey is IFMZABLWQCBWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c12-8-2-1-3-9(10(8)11(13)15)14-6-7-4-5-7/h1-3,7H,4-6H2,(H2,13,15).
What are the key properties of 2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide?
2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide has a molecular weight of 241.74 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide is sourced from PubChem (CID 62495370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).