N-chloro-N-propan-2-ylethanethioamide

C5H10ClNS — CID 155426886

IUPACN-chloro-N-propan-2-ylethanethioamide
SMILESCC(=S)N(Cl)C(C)C
InChIInChI=1S/C5H10ClNS/c1-4(2)7(6)5(3)8/h4H,1-3H3
InChIKeyFKROEAOIQHAKTO-UHFFFAOYSA-N
MW151.66 g/mol
LogP2.20
Rot. Bonds1

About N-chloro-N-propan-2-ylethanethioamide

N-chloro-N-propan-2-ylethanethioamide (PubChem CID 155426886) has the molecular formula C5H10ClNS and a molecular weight of 151.66 g/mol. Its IUPAC name is N-chloro-N-propan-2-ylethanethioamide.

Molecular Properties

Compound NameN-chloro-N-propan-2-ylethanethioamide
PubChem CID155426886
Molecular FormulaC5H10ClNS
Molecular Weight151.66 g/mol
Exact Mass151.02
IUPAC NameN-chloro-N-propan-2-ylethanethioamide
SMILESCC(=S)N(Cl)C(C)C
InChIInChI=1S/C5H10ClNS/c1-4(2)7(6)5(3)8/h4H,1-3H3
InChIKeyFKROEAOIQHAKTO-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.66
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethanethioyl-N-sulfidoethanethioamide
CID 141485229
potassium N,N-di(propan-2-yl)carbamodithioate
CID 23667683
N-(1-aminoethyl)-N-methylethanethioamide
CID 155041594
N-ethanethioyl-N-propan-2-ylpropanamide
CID 175620978
2-methylpropanedithioate
CID 19087069
(Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione
CID 165034804
2-methyl-N,N-di(propan-2-yl)prop-1-en-1-amine
CID 4278481
N,N-dimethylethanethioamide;hydrazine
CID 159847458
di(ethanethioyl)-sulfidoazanium
CID 141485228
(3R)-3,5-dimethylhexane-2-thione
CID 153298597
potassium ethanedithioate
CID 21335195
(3S)-3,4-dimethylpentane-2-thione
CID 153298287

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-propan-2-ylethanethioamide?
The IUPAC name of N-chloro-N-propan-2-ylethanethioamide (CID 155426886) is N-chloro-N-propan-2-ylethanethioamide.
What is the SMILES notation for N-chloro-N-propan-2-ylethanethioamide?
The canonical SMILES for N-chloro-N-propan-2-ylethanethioamide is CC(=S)N(Cl)C(C)C.
What is the InChIKey of N-chloro-N-propan-2-ylethanethioamide?
The InChIKey is FKROEAOIQHAKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNS/c1-4(2)7(6)5(3)8/h4H,1-3H3.
What are the key properties of N-chloro-N-propan-2-ylethanethioamide?
N-chloro-N-propan-2-ylethanethioamide has a molecular weight of 151.66 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-propan-2-ylethanethioamide is sourced from PubChem (CID 155426886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).