(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid

C10H8ClNO2S — CID 23072664

IUPAC(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid
SMILESO=C(O)NCc1csc2ccc(Cl)cc12
InChIInChI=1S/C10H8ClNO2S/c11-7-1-2-9-8(3-7)6(5-15-9)4-12-10(13)14/h1-3,5,12H,4H2,(H,13,14)
InChIKeyMGUUSOGKKDEHMO-UHFFFAOYSA-N
MW241.70 g/mol
LogP3.32
Rot. Bonds2

About (5-chloro-1-benzothiophen-3-yl)methylcarbamic acid

(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid (PubChem CID 23072664) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is (5-chloro-1-benzothiophen-3-yl)methylcarbamic acid.

Molecular Properties

Compound Name(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid
PubChem CID23072664
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Name(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid
SMILESO=C(O)NCc1csc2ccc(Cl)cc12
InChIInChI=1S/C10H8ClNO2S/c11-7-1-2-9-8(3-7)6(5-15-9)4-12-10(13)14/h1-3,5,12H,4H2,(H,13,14)
InChIKeyMGUUSOGKKDEHMO-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-2-oxoethoxy]acetic acid
CID 2811466
2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
CID 67581521
4-tert-butyl-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzamide
CID 2732812
(5-chloro-1-benzothiophen-3-yl)methanol
CID 2776136
6-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]amino]hexanoic acid
CID 120522433
5-chloro-3-[(sulfinatoamino)methyl]-1-benzothiophene
CID 68982831
N-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(methoxymethyl)-1-methylpyrazole-4-carboxamide
CID 139351110
5-chloro-3-(2,2-dimethylpropyl)-1-benzothiophene
CID 21014712
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide
CID 90955606
2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-N-cyclopentylpropanamide
CID 50961311
ethyl 3-(5-chloro-1-benzothiophen-3-yl)-2-cyanopropanoate
CID 3364637

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzothiophen-3-yl)methylcarbamic acid?
The IUPAC name of (5-chloro-1-benzothiophen-3-yl)methylcarbamic acid (CID 23072664) is (5-chloro-1-benzothiophen-3-yl)methylcarbamic acid.
What is the SMILES notation for (5-chloro-1-benzothiophen-3-yl)methylcarbamic acid?
The canonical SMILES for (5-chloro-1-benzothiophen-3-yl)methylcarbamic acid is O=C(O)NCc1csc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1-benzothiophen-3-yl)methylcarbamic acid?
The InChIKey is MGUUSOGKKDEHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c11-7-1-2-9-8(3-7)6(5-15-9)4-12-10(13)14/h1-3,5,12H,4H2,(H,13,14).
What are the key properties of (5-chloro-1-benzothiophen-3-yl)methylcarbamic acid?
(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid has a molecular weight of 241.70 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzothiophen-3-yl)methylcarbamic acid is sourced from PubChem (CID 23072664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).