(1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride

C7H13ClN2OS — CID 21442334

IUPAC(1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride
SMILESCCS/C(Cl)=N/C(=O)NC(C)C
InChIInChI=1S/C7H13ClN2OS/c1-4-12-6(8)10-7(11)9-5(2)3/h5H,4H2,1-3H3,(H,9,11)/b10-6+
InChIKeyWOEQDOYHSUNMKQ-UXBLZVDNSA-N
MW208.71 g/mol
LogP2.45
Rot. Bonds2

About (1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride

(1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride (PubChem CID 21442334) has the molecular formula C7H13ClN2OS and a molecular weight of 208.71 g/mol. Its IUPAC name is (1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride
PubChem CID21442334
Molecular FormulaC7H13ClN2OS
Molecular Weight208.71 g/mol
Exact Mass208.04
IUPAC Name(1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride
SMILESCCS/C(Cl)=N/C(=O)NC(C)C
InChIInChI=1S/C7H13ClN2OS/c1-4-12-6(8)10-7(11)9-5(2)3/h5H,4H2,1-3H3,(H,9,11)/b10-6+
InChIKeyWOEQDOYHSUNMKQ-UXBLZVDNSA-N
XLogP2.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea
CID 123219297
1-(2-ethylbutyl)-3-propan-2-ylurea
CID 84528098
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
methyl N'-(butan-2-ylcarbamoyl)carbamimidothioate
CID 88816478
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
CID 62364023
S-ethyl N-[1-(dimethylamino)propyl]carbamothioate
CID 23619587
1-hexyl-3-propan-2-ylurea
CID 23264656
1-(4-azidobutyl)-3-propan-2-ylurea
CID 106386969
S-[2-oxo-2-(propan-2-ylamino)ethyl] ethanethioate
CID 58731472
S-ethyl N-(2-chloro-2-oxoethyl)carbamothioate
CID 130011162

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride?
The IUPAC name of (1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride (CID 21442334) is (1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride.
What is the SMILES notation for (1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride?
The canonical SMILES for (1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride is CCS/C(Cl)=N/C(=O)NC(C)C.
What is the InChIKey of (1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride?
The InChIKey is WOEQDOYHSUNMKQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C7H13ClN2OS/c1-4-12-6(8)10-7(11)9-5(2)3/h5H,4H2,1-3H3,(H,9,11)/b10-6+.
What are the key properties of (1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride?
(1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride has a molecular weight of 208.71 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride is sourced from PubChem (CID 21442334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).