2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate

C4H6ClNO2S2 — CID 174397624

IUPAC2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate
SMILESC=C(Cl)COC(=O)N(S)S
InChIInChI=1S/C4H6ClNO2S2/c1-3(5)2-8-4(7)6(9)10/h9-10H,1-2H2
InChIKeyFDANUUSIQWVUON-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.87
Rot. Bonds2

About 2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate

2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate (PubChem CID 174397624) has the molecular formula C4H6ClNO2S2 and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate.

Molecular Properties

Compound Name2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate
PubChem CID174397624
Molecular FormulaC4H6ClNO2S2
Molecular Weight199.68 g/mol
Exact Mass198.95
IUPAC Name2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate
SMILESC=C(Cl)COC(=O)N(S)S
InChIInChI=1S/C4H6ClNO2S2/c1-3(5)2-8-4(7)6(9)10/h9-10H,1-2H2
InChIKeyFDANUUSIQWVUON-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate?
The IUPAC name of 2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate (CID 174397624) is 2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate.
What is the SMILES notation for 2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate?
The canonical SMILES for 2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate is C=C(Cl)COC(=O)N(S)S.
What is the InChIKey of 2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate?
The InChIKey is FDANUUSIQWVUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO2S2/c1-3(5)2-8-4(7)6(9)10/h9-10H,1-2H2.
What are the key properties of 2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate?
2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate has a molecular weight of 199.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate is sourced from PubChem (CID 174397624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).