carbamic acid;disulfanylethane

C3H9NO2S2 — CID 146590637

IUPACcarbamic acid;disulfanylethane
SMILESCCSS.NC(=O)O
InChIInChI=1S/C2H6S2.CH3NO2/c1-2-4-3;2-1(3)4/h3H,2H2,1H3;2H2,(H,3,4)
InChIKeyIMUUHYYUWXRFIL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.21
Rot. Bonds1

About carbamic acid;disulfanylethane

carbamic acid;disulfanylethane (PubChem CID 146590637) has the molecular formula C3H9NO2S2 and a molecular weight of 155.24 g/mol. Its IUPAC name is carbamic acid;disulfanylethane.

Molecular Properties

Compound Namecarbamic acid;disulfanylethane
PubChem CID146590637
Molecular FormulaC3H9NO2S2
Molecular Weight155.24 g/mol
Exact Mass155.01
IUPAC Namecarbamic acid;disulfanylethane
SMILESCCSS.NC(=O)O
InChIInChI=1S/C2H6S2.CH3NO2/c1-2-4-3;2-1(3)4/h3H,2H2,1H3;2H2,(H,3,4)
InChIKeyIMUUHYYUWXRFIL-UHFFFAOYSA-N
XLogP1.21
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disulfanylethane;propane
CID 158572764
carbamic acid;tetraethylazanium
CID 159284464
sodium;disulfanylethane;hydride
CID 174860654
butane-1-thiol;carbamic acid
CID 161225293
carbamic acid;(Z)-hex-3-ene
CID 158256779
carbamic acid;hex-3-ene
CID 175321124
S-ethyl carbamothioate
CID 12673087
disulfanylethane;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174917305
propanoic acid;urea
CID 22102181
carbamic acid;indigane
CID 174683885
carbamic acid;cobalt
CID 87314881
carbamic acid;iridium
CID 58983452

Frequently Asked Questions

What is the IUPAC name of carbamic acid;disulfanylethane?
The IUPAC name of carbamic acid;disulfanylethane (CID 146590637) is carbamic acid;disulfanylethane.
What is the SMILES notation for carbamic acid;disulfanylethane?
The canonical SMILES for carbamic acid;disulfanylethane is CCSS.NC(=O)O.
What is the InChIKey of carbamic acid;disulfanylethane?
The InChIKey is IMUUHYYUWXRFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S2.CH3NO2/c1-2-4-3;2-1(3)4/h3H,2H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;disulfanylethane?
carbamic acid;disulfanylethane has a molecular weight of 155.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;disulfanylethane is sourced from PubChem (CID 146590637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).