Results for:
PubChem ID: 7848

Propane-1-thiol

Mass-Spectra

Compound Details

Synonymous names
1-Propanethiol
Propane-1-thiol
Propanethiol
107-03-9
PROPYL MERCAPTAN
n-Propylmercaptan
n-Propyl mercaptan
n-Propylthiol
1-Mercaptopropane
1-Propylmercaptan
Propylthiol
1-Propyl mercaptan
Thiopropyl alcohol
n-Thiopropyl alcohol
1-propylthiol
Mercaptan C3
FEMA No. 3521
79869-58-2
n-C3H7SH
4AB0N08V2H
CHEBI:8473
MFCD00004900
propylmercaptan
n-propanethiol
propan-1-thiol
CCRIS 1246
HSDB 1037
propanethiol, sodium salt
EINECS 203-455-5
BRN 1696860
propanthiol
UNII-4AB0N08V2H
Propanethiols
propane thiol
propyl thiol
1-propanthiol
1-Propanethoil
1-propane thiol
1-propyl thiol
n-PrSH
1-Propanethiol, 99%
51285-52-0
Propyl mercaptan, >=97%
3-Mercaptopropyl Silica Gel
4-01-00-01449 (Beilstein Handbook Reference)
PROPYL MERCAPTAN [FCC]
PROPYL MERCAPTAN [FHFI]
PROPYL MERCAPTAN [HSDB]
CHEMBL1236818
DTXSID5026750
FEMA 3521
DTXSID30198121
Propyl mercaptan, analytical standard
AKOS000121933
MCULE-8267649092
1-Propanethiol, natural, >=98%, FG
M1979
NS00020137
P0488
Propanethiols [UN2402] [Flammable liquid]
EN300-31221
C08390
A801560
Q161679
InChI=1/C3H8S/c1-2-3-4/h4H,2-3H2,1H
J-001693
F8880-8482
Microorganism:

Yes

IUPAC namepropane-1-thiol
SMILESCCCS
InchiInChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
FormulaC3H8S
PubChem ID7848
Molweight76.16
LogP1.8
Atoms4
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thiols
CHEBI-ID8473
Supernatural-IDSN0355954

mVOC Specific Details

Boiling Point
DegreeReference
67.8 °C peer reviewed
Volatilization
The Henry's Law constant for propyl mercaptan is 4.08X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that propyl mercaptan is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2.6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3.5 days(SRC). Propyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Propyl mercaptan is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 154 mm Hg(3).
Literature: (1) Przyjazny A et al; J Chromatog 280: 249-260 (1983) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Pub Corp. 4 vol (1989)
Soil Adsorption
The Koc of propyl mercaptan is estimated as 230(SRC), using a log Kow of 1.81(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propyl mercaptan is expected to have moderate mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 7 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
154.2 mm Hg at 25 deg C /Extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
Lactobacillus PlantarumHabanero pepperGC–IMSno