Pentane-2-thiol

CAT: 0127-OR1073699-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1073699-02Size:1 g

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CAS Number

2084-19-7

MDL Number

MFCD00053516

Purity

95%

Smiles

CC(S)CCC

Chemical Information

2-Pentanethiol

2-Pentanethiol is an alkanethiol.

CAS Number	2084-19-7
PubChem CID	62424
IUPAC Name	pentane-2-thiol
Molecular Formula	C5H12S
Molecular Weight	104.22
XLogP	2.2
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	27

SMILES

CCCC(C)S

InChI

InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3

InChIKey

QUSTYFNPKBDELJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2084-19-7

CID: 62424

Formula: C5H12S

MW: 104.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.22
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	104.06597156
Monoisotopic Mass	104.06597156
Topological Polar Surface Area	1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	27.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1048639	Pentane-2,4-diyldibenzene
OR1051757	Pentane-2-sulfonyl chloride
OR1101456	Pentane-2,3-Diol
OR16430-01	Pentane-2,4-dione
OR10041-01	Pentane-2,4-diol
OR26209	1- (2,2-dibromocyclopropyl) pentane
PC4192	3-[ (Chlorodifluoromethyl) thio]pentane-2,4-dione
PC106900	2,3-Dichlorononafluoro-2- (trifluoromethyl) pentane
OR29820	3-[ (4-Chlorophenyl) thio]pentane-2,4-dione
OR1030446-01	Pyridine-2-Thiol

Catalog	Name
P274054	1-Pentane-d11-thiol
SAA85462-01	Pentane-2-sulfonamide
26323-35	Pentane
RG-P051427-01	Pentane-2,4-Dione
CCA94041-01	Pentane-1,2-diamine
SBA02723-01	Pentane-2,3-diol
3123945	N-Pentane
sc-228915	Pentane-d12
RBA25614-01	1-[ (2-Chloroethyl) sulfanyl]pentane
505012	ETHYL‐2‐OXOCYCLO PENTANE CARBOXYLATE