S-propyl N-(2,3-dichlorophenyl)carbamothioate

C10H11Cl2NOS — CID 4137558

IUPACS-propyl N-(2,3-dichlorophenyl)carbamothioate
SMILESCCCSC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NOS/c1-2-6-15-10(14)13-8-5-3-4-7(11)9(8)12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyGNWBAMAUIKGUOK-UHFFFAOYSA-N
MW264.18 g/mol
LogP4.67
Rot. Bonds3

About S-propyl N-(2,3-dichlorophenyl)carbamothioate

S-propyl N-(2,3-dichlorophenyl)carbamothioate (PubChem CID 4137558) has the molecular formula C10H11Cl2NOS and a molecular weight of 264.18 g/mol. Its IUPAC name is S-propyl N-(2,3-dichlorophenyl)carbamothioate.

Molecular Properties

Compound NameS-propyl N-(2,3-dichlorophenyl)carbamothioate
PubChem CID4137558
Molecular FormulaC10H11Cl2NOS
Molecular Weight264.18 g/mol
Exact Mass262.99
IUPAC NameS-propyl N-(2,3-dichlorophenyl)carbamothioate
SMILESCCCSC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NOS/c1-2-6-15-10(14)13-8-5-3-4-7(11)9(8)12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyGNWBAMAUIKGUOK-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
N-(3-chloro-2-ethylphenyl)acetamide
CID 67890650
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
CID 65225946
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
[2-(2,3-dichloroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771773
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
CID 54808960
1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea
CID 19687705

Frequently Asked Questions

What is the IUPAC name of S-propyl N-(2,3-dichlorophenyl)carbamothioate?
The IUPAC name of S-propyl N-(2,3-dichlorophenyl)carbamothioate (CID 4137558) is S-propyl N-(2,3-dichlorophenyl)carbamothioate.
What is the SMILES notation for S-propyl N-(2,3-dichlorophenyl)carbamothioate?
The canonical SMILES for S-propyl N-(2,3-dichlorophenyl)carbamothioate is CCCSC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of S-propyl N-(2,3-dichlorophenyl)carbamothioate?
The InChIKey is GNWBAMAUIKGUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NOS/c1-2-6-15-10(14)13-8-5-3-4-7(11)9(8)12/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of S-propyl N-(2,3-dichlorophenyl)carbamothioate?
S-propyl N-(2,3-dichlorophenyl)carbamothioate has a molecular weight of 264.18 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-propyl N-(2,3-dichlorophenyl)carbamothioate is sourced from PubChem (CID 4137558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).