1-Propanethiol

CAT: 0127-OR1078789-02Size: 500 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1078789-02Size:500 mL

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CAS Number

107-03-9

Synonyms

Propyl Mercaptan

MDL Number

MFCD00004900

Purity

>98.0%

Smiles

CCCS

Chemical Information

Propyl mercaptan

Propane-1-thiol is an alkanethiol that is propane substituted by a thiol group at position 1. It has a role as a plant metabolite.

CAS Number	107-03-9
PubChem CID	7848
IUPAC Name	propane-1-thiol
Molecular Formula	C3H8S
Molecular Weight	76.16
XLogP	1.8
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	4
Formal Charge	0
Complexity	7

SMILES

CCCS

InChI

InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

InChIKey

SUVIGLJNEAMWEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-03-9

CID: 7848

Formula: C3H8S

MW: 76.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	76.16
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	76.03467143
Monoisotopic Mass	76.03467143
Topological Polar Surface Area	1 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	7.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-237626	1-Propanethiol
S-3152	1-Propanethiol - 1ML
P760811	1-Propanethiol-SD
P25310-01	1-Propanethiol 97%
418669-01	2-Methyl-1-propanethiol
sc-238207	2-Propanethiol
FP153195-01	3- (Dimethylamino) -1-propanethiol
sc-238465	3- (Dimethoxymethylsilyl) -1-propanethiol
sc-231572	3-Chloro-1-propanethiol
TRC-A618910-25MG	3-(Aminooxy)-1-propanethiol Hydrochloride