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

C4H7NO3S2 — CID 87690036

IUPAC2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate
SMILESC=C(O)COC(=O)N(S)S
InChIInChI=1S/C4H7NO3S2/c1-3(6)2-8-4(7)5(9)10/h6,9-10H,1-2H2
InChIKeyIPTWKGZXJDXQJF-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.19
Rot. Bonds2

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

2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate (PubChem CID 87690036) has the molecular formula C4H7NO3S2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate.

Molecular Properties

Compound Name2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate
PubChem CID87690036
Molecular FormulaC4H7NO3S2
Molecular Weight181.24 g/mol
Exact Mass180.99
IUPAC Name2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate
SMILESC=C(O)COC(=O)N(S)S
InChIInChI=1S/C4H7NO3S2/c1-3(6)2-8-4(7)5(9)10/h6,9-10H,1-2H2
InChIKeyIPTWKGZXJDXQJF-UHFFFAOYSA-N
XLogP1.19
TPSA49.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate
CID 174397624
2,3,3-trichloroprop-2-enyl N,N-bis(sulfanyl)carbamate
CID 57315932
iron;prop-2-enyl N,N-bis(sulfanyl)carbamate
CID 87288667
3-[bis(sulfanyl)carbamoyloxy]propanoic acid
CID 57010225
2-aminoethyl N,N-bis(sulfanyl)carbamate
CID 87837441
bis(sulfanyl)carbamoperoxoic acid
CID 174318284
hexyl N,N-bis(sulfanyl)carbamate
CID 57100182
nickel;octyl N,N-bis(sulfanyl)carbamate
CID 88681051
(2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate
CID 174158124
fluoro N,N-bis(sulfanyl)carbamate
CID 57174157
bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc
CID 174418079
2-hydroxyprop-2-enyl 2,2-dimethylbutanoate
CID 87159504

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate?
The IUPAC name of 2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate (CID 87690036) is 2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate.
What is the SMILES notation for 2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate?
The canonical SMILES for 2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate is C=C(O)COC(=O)N(S)S.
What is the InChIKey of 2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate?
The InChIKey is IPTWKGZXJDXQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3S2/c1-3(6)2-8-4(7)5(9)10/h6,9-10H,1-2H2.
What are the key properties of 2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate?
2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate has a molecular weight of 181.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate is sourced from PubChem (CID 87690036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).