carbamodithioic acid;propan-2-ol

C4H11NOS2 — CID 71434937

IUPACcarbamodithioic acid;propan-2-ol
SMILESCC(C)O.NC(=S)S
InChIInChI=1S/C3H8O.CH3NS2/c1-3(2)4;2-1(3)4/h3-4H,1-2H3;(H3,2,3,4)
InChIKeyODRYZRRDTQUHPF-UHFFFAOYSA-N
MW153.27 g/mol
LogP0.55
Rot. Bonds

About carbamodithioic acid;propan-2-ol

carbamodithioic acid;propan-2-ol (PubChem CID 71434937) has the molecular formula C4H11NOS2 and a molecular weight of 153.27 g/mol. Its IUPAC name is carbamodithioic acid;propan-2-ol.

Molecular Properties

Compound Namecarbamodithioic acid;propan-2-ol
PubChem CID71434937
Molecular FormulaC4H11NOS2
Molecular Weight153.27 g/mol
Exact Mass153.03
IUPAC Namecarbamodithioic acid;propan-2-ol
SMILESCC(C)O.NC(=S)S
InChIInChI=1S/C3H8O.CH3NS2/c1-3(2)4;2-1(3)4/h3-4H,1-2H3;(H3,2,3,4)
InChIKeyODRYZRRDTQUHPF-UHFFFAOYSA-N
XLogP0.55
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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carbamodithioic acid;carbonotrithioic acid
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hydroxylamine;propan-2-ol
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arsane;carbamodithioic acid
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CID 157375712
CID 157375712
CID 172737064
CID 172737064
carbamodithioic acid;selane
CID 174428895
carbamodithioic acid;hydroiodide
CID 86734769
barium(2+);carbamodithioic acid;hydride
CID 174258632
sodium;carbamodithioic acid;hydride
CID 173103786
2-methylpropanethioamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;propan-2-ol?
The IUPAC name of carbamodithioic acid;propan-2-ol (CID 71434937) is carbamodithioic acid;propan-2-ol.
What is the SMILES notation for carbamodithioic acid;propan-2-ol?
The canonical SMILES for carbamodithioic acid;propan-2-ol is CC(C)O.NC(=S)S.
What is the InChIKey of carbamodithioic acid;propan-2-ol?
The InChIKey is ODRYZRRDTQUHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.CH3NS2/c1-3(2)4;2-1(3)4/h3-4H,1-2H3;(H3,2,3,4).
What are the key properties of carbamodithioic acid;propan-2-ol?
carbamodithioic acid;propan-2-ol has a molecular weight of 153.27 g/mol, XLogP of 0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;propan-2-ol is sourced from PubChem (CID 71434937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).