butane-2-thiol

C4H10S — CID 10560

IUPACbutane-2-thiol
SMILESCCC(C)S
InChIInChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKeyLOCHFZBWPCLPAN-UHFFFAOYSA-N
MW90.19 g/mol
LogP1.71
Rot. Bonds1

About butane-2-thiol

butane-2-thiol (PubChem CID 10560) has the molecular formula C4H10S and a molecular weight of 90.19 g/mol. Its IUPAC name is butane-2-thiol.

Molecular Properties

Compound Namebutane-2-thiol
PubChem CID10560
Molecular FormulaC4H10S
Molecular Weight90.19 g/mol
Exact Mass90.05
IUPAC Namebutane-2-thiol
SMILESCCC(C)S
InChIInChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKeyLOCHFZBWPCLPAN-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dipropyl disulfide
CID 12377
Butanethiol
CID 8012
Propyl mercaptan
CID 7848
1-Hexanethiol
CID 8106
Dipropyl trisulfide
CID 22383
2-Propanethiol
CID 6364
Methyl propyl disulfide
CID 16592
1-Pentanethiol
CID 8067
2,3-Butanedithiol
CID 548353
Methyl propyl trisulfide
CID 5319765
Diisopropyl disulfide
CID 77932
2,3-Dimercaptopropane
CID 61217

Frequently Asked Questions

What is the IUPAC name of butane-2-thiol?
The IUPAC name of butane-2-thiol (CID 10560) is butane-2-thiol.
What is the SMILES notation for butane-2-thiol?
The canonical SMILES for butane-2-thiol is CCC(C)S.
What is the InChIKey of butane-2-thiol?
The InChIKey is LOCHFZBWPCLPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3.
What are the key properties of butane-2-thiol?
butane-2-thiol has a molecular weight of 90.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2-thiol is sourced from PubChem (CID 10560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).