carbonic acid;ethenethiol;methane

C4H10O3S — CID 175227700

IUPACcarbonic acid;ethenethiol;methane
SMILESC.C=CS.O=C(O)O
InChIInChI=1S/C2H4S.CH2O3.CH4/c1-2-3;2-1(3)4;/h2-3H,1H2;(H2,2,3,4);1H4
InChIKeySULGNDBKBGYPEM-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.92
Rot. Bonds

About carbonic acid;ethenethiol;methane

carbonic acid;ethenethiol;methane (PubChem CID 175227700) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is carbonic acid;ethenethiol;methane.

Molecular Properties

Compound Namecarbonic acid;ethenethiol;methane
PubChem CID175227700
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Namecarbonic acid;ethenethiol;methane
SMILESC.C=CS.O=C(O)O
InChIInChI=1S/C2H4S.CH2O3.CH4/c1-2-3;2-1(3)4;/h2-3H,1H2;(H2,2,3,4);1H4
InChIKeySULGNDBKBGYPEM-UHFFFAOYSA-N
XLogP1.92
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;ethenethiol;methane?
The IUPAC name of carbonic acid;ethenethiol;methane (CID 175227700) is carbonic acid;ethenethiol;methane.
What is the SMILES notation for carbonic acid;ethenethiol;methane?
The canonical SMILES for carbonic acid;ethenethiol;methane is C.C=CS.O=C(O)O.
What is the InChIKey of carbonic acid;ethenethiol;methane?
The InChIKey is SULGNDBKBGYPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4S.CH2O3.CH4/c1-2-3;2-1(3)4;/h2-3H,1H2;(H2,2,3,4);1H4.
What are the key properties of carbonic acid;ethenethiol;methane?
carbonic acid;ethenethiol;methane has a molecular weight of 138.19 g/mol, XLogP of 1.92, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;ethenethiol;methane is sourced from PubChem (CID 175227700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).