(4-propan-2-ylsulfanylphenyl)carbamic acid

C10H13NO2S — CID 115170656

IUPAC(4-propan-2-ylsulfanylphenyl)carbamic acid
SMILESCC(C)Sc1ccc(NC(=O)O)cc1
InChIInChI=1S/C10H13NO2S/c1-7(2)14-9-5-3-8(4-6-9)11-10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChIKeyFKZGRVAIYZDDMD-UHFFFAOYSA-N
MW211.29 g/mol
LogP3.28
Rot. Bonds3

About (4-propan-2-ylsulfanylphenyl)carbamic acid

(4-propan-2-ylsulfanylphenyl)carbamic acid (PubChem CID 115170656) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (4-propan-2-ylsulfanylphenyl)carbamic acid.

Molecular Properties

Compound Name(4-propan-2-ylsulfanylphenyl)carbamic acid
PubChem CID115170656
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(4-propan-2-ylsulfanylphenyl)carbamic acid
SMILESCC(C)Sc1ccc(NC(=O)O)cc1
InChIInChI=1S/C10H13NO2S/c1-7(2)14-9-5-3-8(4-6-9)11-10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChIKeyFKZGRVAIYZDDMD-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea
CID 110774685
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
CID 110793142
2-(4-propan-2-ylsulfanylanilino)acetic acid
CID 82494664
3-chloro-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115162345
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626
3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115154519
3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
CID 115154849
(E)-4-(4-propan-2-ylsulfanylanilino)but-2-enoic acid
CID 115236909
N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide
CID 18587119
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
5-(4-propan-2-ylsulfanylanilino)pentanoic acid
CID 115218894

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylsulfanylphenyl)carbamic acid?
The IUPAC name of (4-propan-2-ylsulfanylphenyl)carbamic acid (CID 115170656) is (4-propan-2-ylsulfanylphenyl)carbamic acid.
What is the SMILES notation for (4-propan-2-ylsulfanylphenyl)carbamic acid?
The canonical SMILES for (4-propan-2-ylsulfanylphenyl)carbamic acid is CC(C)Sc1ccc(NC(=O)O)cc1.
What is the InChIKey of (4-propan-2-ylsulfanylphenyl)carbamic acid?
The InChIKey is FKZGRVAIYZDDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(2)14-9-5-3-8(4-6-9)11-10(12)13/h3-7,11H,1-2H3,(H,12,13).
What are the key properties of (4-propan-2-ylsulfanylphenyl)carbamic acid?
(4-propan-2-ylsulfanylphenyl)carbamic acid has a molecular weight of 211.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylsulfanylphenyl)carbamic acid is sourced from PubChem (CID 115170656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).